SCHEMBL3965396

SCHEMBL3965396

CC(C)c1cc(C=O)c(O)c(C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.57
GABRB2 P47870 2/20 0.57
ERN1 O75460 3/20 0.50
TYR P14679 1/20 0.50
FABP3 P05413 2/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GABRB1 P18505 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2B6 P20813 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
SCHEMBL29617422 1.00 GABRA1 (0.57) GABRA1GABRB2ERN1TYRFABP3
SCHEMBL20509047 0.82 TYR (0.61) GABRA1GABRB2ERN1TYRKDM4E
SCHEMBL310863 0.81 ERN1 (0.67) GABRA1GABRB2ERN1TYRCA1
SCHEMBL26229436 0.79 ERN1 (0.58) GABRA1GABRB2ERN1TYRKDM4E
SCHEMBL310578 0.79 ERN1 (0.64) GABRA1GABRB2ERN1TYRCA1
SCHEMBL10322298 0.79 GABRA1 (0.64) GABRA1GABRB2ERN1TYRCA1
SCHEMBL882866 0.79 ERN1 (0.44) GABRA1GABRB2ERN1TYRCA1
SCHEMBL94533 0.79 GABRA1 (0.77) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL11249537 0.78 GABRA1 (0.53) GABRA1GABRB2TYRFABP3FABP4
SCHEMBL11249533 0.78 GABRA1 (0.53) GABRA1GABRB2TYRFABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN claimed
CN-1228356-C Norbornene polymerization catalyst system and its preparing process CHINESE ACAD INST CHEMISTRY (CN) 2005-11-23 CN claimed
CN-1200017-C Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2005-05-04 CN claimed
CN-1167720-C Polymeric catalyst system of norbornaene and its preparing process 中国科学院化学研究所 2004-09-22 CN claimed
CN-1139606-C Norbornene catalytic system and its preparation method and application 中国科学院化学研究所 2004-02-25 CN claimed
CN-1394685-A Norbornene catalytic system and its preparation method and application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN claimed
CN-1390867-A Polymeric catalyst system of norbornaene and its preparing process CHINESE ACAD INST CHEMISTRY (CN) 2003-01-15 CN claimed
CN-1388139-A Norbornene polymerization catalyst system and its preparing process CHINESE ACAD INST CHEMISTRY (CN) 2003-01-01 CN claimed
CN-1388140-A Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2003-01-01 CN claimed
CN-109054011-B Schiff base cobalt compound, preparation method thereof and preparation method of polycarbonate 中国科学院长春应用化学研究所 2021-01-08 CN disclosed
CN-103396457-B The preparation method of a kind of Schiff's base cobalt compound, its preparation method and polycarbonate CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-03-23 CN disclosed
CN-103396457-A Schiff base cobalt compound and preparation method thereof as well as preparation method of polycarbonate CHANGCHUN APPLIED CHEMISTRY 2013-11-20 CN disclosed
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN disclosed
US-5849742-A Compounds for the treament of disorders related to vasculogenesis and/or angiogenesis SUGEN INC. (US) 1998-12-15 US disclosed
US-5792771-A FOR TREATING TUMORS, VASCULAR SYSTEM DISORDERS, DIABETES, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS AND HEMANGIOMA SUGEN, INC. (US) 1998-08-11 US disclosed
US-5763441-A ADMINISTERING TO THE PATIENT SUFFERING FROM DIABETES, GLIOMA, HEMANGIOMA, KAPOSI'S SARCOMA, OVARIAN/BREAST/PANCREATIC/COLON AND PROSTATE CANCER A BENZO(G)QUINOXALINE COMPOUNDS SUGEN, INC. (US) 1998-06-09 US disclosed
US-5712395-A BENZO(G)QUINOXALINE YISSUM RESEARCH DEVELOPMENT CORP. (IL) 1998-01-27 US disclosed
EP-0748219-A1 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS Sugen, Inc. (US) 1996-12-18 EP disclosed
WO-1995021613-A1 COMPOUNDS FOR THE TREATMENT OF DISORDERS RELATED TO VASCULOGENESIS AND/OR ANGIOGENESIS SUGEN, INC. (US) 1995-08-17 WO disclosed