SCHEMBL2811153

SCHEMBL2811153

C=C(CC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL952723 0.81 TSHR (0.33) TSHR
SCHEMBL2810500 0.79 GAA (0.37) ALDH1A1KDM4EMEN1MAPTTSHR
SCHEMBL11586258 0.73 CYP2C19 (0.37) ALDH1A1MAPTTSHR
SCHEMBL24319154 0.73
SCHEMBL13411241 0.73 TSHR (0.33) TSHR
SCHEMBL22383092 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5186761 0.72 TSHR (0.32) TSHR
SCHEMBL27928142 0.72 KMT2A (0.41) ALDH1A1KDM4EMAPTTSHRKMT2A
SCHEMBL27321271 0.71 BRD4 (0.33) TSHRBRD4
SCHEMBL5074348 0.71 ALDH1A1 (0.47) ALDH1A1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225933-B Aqueous polyurethane resin composition 株式会社艾迪科 2021-11-19 CN disclosed
EP-2210918-B1 RESIN COMPOSITION AND RESIN MOLDED ARTICLE ADEKA CORP (JP) 2015-01-14 EP disclosed
US-20100249289-A1 RESIN COMPOSITION AND RESIN MOLDED ARTICLE ADEKA CORPORATION (JP) 2010-09-30 US disclosed
EP-2210918-A1 RESIN COMPOSITION AND RESIN MOLDED ARTICLE Adeka Corporation (JP) 2010-07-28 EP disclosed
EP-0976809-A2 Lubrication oil composition Mitsui Chemicals, Inc. (JP) 2000-02-02 EP disclosed
EP-0931805-A1 TRIBLOCK OLIGOMERS, THERMOPLASTIC RESIN COMPOSITIONS, AND ANTIFOG MOLDINGS Mitsui Chemicals, Inc. (JP) 1999-07-28 EP disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed
EP-0534735-B1 Lubricating oil composition MITSUI PETROCHEMICAL IND (JP) 1997-05-28 EP disclosed
EP-0711823-A2 Lubricating oil composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-05-15 EP disclosed
US-5326486-A Useful with hydrogenated fluorocarbon refrigerants, carbonate compounds and carbonate modified polyethers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-07-05 US disclosed
EP-0534735-A1 Lubricating oil composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-31 EP disclosed