SCHEMBL471856

SCHEMBL471856

CC(C)c1cccc(N=C=O)c1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
GABRA1 P14867 4/20 0.38
GABRB2 P47870 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11785534 0.88 CYP3A4 (0.59) CYP3A4GABRA1GABRB2HPGDTSHR
SCHEMBL1416921 0.85 GABRA1 (0.40) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL8751827 0.83 CYP3A4 (0.39) CYP3A4HPGDTRPA1ALDH1A1TDP1
SCHEMBL462794 0.82 CYP3A4 (0.52) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL28151572 0.81 CYP3A4 (0.57) CYP3A4GABRA1GABRB2HPGDCA1
SCHEMBL24999150 0.81 CYP3A4 (0.68) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL112144 0.81 CYP3A4 (0.52) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL18245123 0.81 CYP3A4 (0.43) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL578079 0.81 GABRA1 (0.38) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL112207 0.80 CYP3A4 (0.46) CYP3A4GABRA1GABRB2HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100732-B Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-111100732-A Soap urethane lubricating grease and preparation method thereof 中国石油化工股份有限公司 2020-05-05 CN claimed
CN-106172492-A A kind of rare cultural relics, literature and history archives, calligraphy and painting protecting agent preparation method and applications 徐州工程学院 2016-12-07 CN claimed
EP-1019451-B1 METHOD FOR PRODUCING SEMI-RIGID COMPACT OR CELLULAR SHAPED BODIES WITH A PUR BASE AND THE STABILIZATION THEREOF; SHAPED BODIES PRODUCED ACCORDING TO SAID METHOD AND THE USE THEREOF BAYER AG (DE) 2003-03-12 EP claimed
JP-2001515534-A 2001-09-18 JP claimed
US-6169157-B1 Method for producing semi-rigid compact or cellular shaped bodies with a PUR base and the stabilization thereof; shaped bodies produced according to said method and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2001-01-02 US claimed
EP-1019451-A1 METHOD FOR PRODUCING SEMI-RIGID COMPACT OR CELLULAR SHAPED BODIES WITH A PUR BASE AND THE STABILIZATION THEREOF; SHAPED BODIES PRODUCED ACCORDING TO SAID METHOD AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2000-07-19 EP claimed
WO-1998041575-A1 METHOD FOR PRODUCING SEMI-RIGID COMPACT OR CELLULAR SHAPED BODIES WITH A PUR BASE AND THE STABILIZATION THEREOF; SHAPED BODIES PRODUCED ACCORDING TO SAID METHOD AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-09-24 WO claimed
EP-4326706-A1 PROCESS FOR PREPARING CARBODIIMIDES LANXESS Deutschland GmbH (DE) 2024-02-28 EP disclosed
US-20230323005-A1 AQUEOUS RESIN CROSSLINKING AGENT, AQUEOUS RESIN CROSSLINKING AGENT-CONTAINING LIQUID, AND AQUEOUS RESIN COMPOSITION NISSHINBO CHEMICAL INC. (JP) 2023-10-12 US disclosed
US-20230323004-A1 AQUEOUS RESIN CROSSLINKING AGENT, AQUEOUS RESIN CROSSLINKING AGENT-CONTAINING LIQUID, AND AQUEOUS RESIN COMPOSITION NISSHINBO CHEMICAL INC. (JP) 2023-10-12 US disclosed
EP-4206252-A1 AQUEOUS RESIN CROSSLINKING AGENT, AQUEOUS RESIN CROSSLINKING AGENT-CONTAINING LIQUID, AND AQUEOUS RESIN COMPOSITION Nisshinbo Chemical Inc. (JP) 2023-07-05 EP disclosed
EP-4206253-A1 AQUEOUS RESIN CROSSLINKING AGENT, AQUEOUS RESIN CROSSLINKING AGENT-CONTAINING LIQUID, AND AQUEOUS RESIN COMPOSITION Nisshinbo Chemical Inc. (JP) 2023-07-05 EP disclosed
WO-2023118036-A1 POLYMERIC CARBODIIMIDES, PROCESSES FOR THE PREPARATION AND USE THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2023-06-29 WO disclosed
US-4305857-A Process for the preparation of stable dispersions of polyisocyanate-polyaddition products in hydroxyl containing compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-12-15 US disclosed
US-4305858-A Process for the preparation of stable ionic dispersions of polyisocyanate-polyaddition products in hydroxyl containing compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-12-15 US disclosed
US-4147680-A Production of polyurethane resins using as active hydrogen material a stable dispersion of ionic polyisocyanate-polyaddition products in hydroxyl containing compounds as a dispersing agent BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4093569-A Polyurethane resins produced from active hydrogen containing material which is a dispersion of polyisocyanate-polyaddition products in hydroxyl containing compounds as dispersing agents BAYER AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4089835-A Stable polyurethane dispersions and process for production thereof BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4042537-A Process for the production of polyurethane foams BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed