SCHEMBL4939017

SCHEMBL4939017

CC(C)(C)c1ccc(C(=O)O)c(C(C)(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RXRB P28702 1/20 0.37
HAAO P46952 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NR1H4 Q96RI1 2/20 0.35
ALOX15 P16050 2/20 0.34
EPHX2 P34913 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NOTUM Q6P988 1/20 0.33
SRD5A2 P31213 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
KMT2A Q03164 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRP O00591 1/20 0.32

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
Water SCHEMBL8079256 0.98 GLRA3 (0.44) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL4940867 0.85 GLRA3 (0.46) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL122560 0.84 GLRA3 (0.40) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL122563 0.84 GLRA3 (0.40) GLRA3GLRBTDP1RXRBALDH1A1
SCHEMBL6236049 0.84 CYP1A2 (0.41) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL8881467 0.82 GLRA3 (0.47) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL6905613 0.82 CYP1A2 (0.39) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL4942021 0.81 CYP1A2 (0.50) CYP1A2TDP1RXRBHAAOALDH1A1
SCHEMBL20955847 0.79 CYP1A2 (0.37) GLRA3GLRBCYP1A2TDP1RXRB
SCHEMBL8880081 0.78 GLRA3 (0.39) GLRA3GLRBCYP1A2TDP1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
CN-119176840-A Phosphorus-containing (meth) acryl composition, method for producing same, flame-retardant resin composition, prepreg, and use thereof 日铁化学材料株式会社 2024-12-24 CN disclosed
CN-114929158-B Method for producing denture, curable composition for photoforming, and kit for producing denture 株式会社德山齿科 2023-10-20 CN disclosed
CN-113912642-A Phosphorus-containing (meth) acryloyl compound, method for producing same, flame-retardant resin composition, and laminate for electronic circuit board 日铁化学材料株式会社 2022-01-11 CN disclosed
CN-113912643-A Phosphorus-containing vinylbenzyl ether compound, process for producing the same, flame-retardant resin composition, and laminate for electronic circuit board 日铁化学材料株式会社 2022-01-11 CN disclosed
CN-113703296-A Toner and preparation method thereof 湖北鼎龙控股股份有限公司 2021-11-26 CN disclosed
EP-2576674-B1 PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER BASF SE (DE) 2014-08-27 EP disclosed
US-8586784-B2 Method for continuous catalytic hydrogenation EVONIK OXENO GMBH (DE) 2013-11-19 US disclosed
US-7435848-B2 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2008-10-14 US disclosed
US-20060167151-A1 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2006-07-27 US disclosed
US-20060161017-A1 Method for continuous catalytic hydrogenation DEGUSSA AG (DE) 2006-07-20 US disclosed
US-5910390-A SELECTIVELY POLYMERIZING A PHOTOPOLYMERIZABLE RESIN, A RADICAL GENERATOR AND A SENSITIZING AGENT BY UTILIZING RADIATED LIGHT; HIGH RESOLUTION WITHOUT USE OF NEGATIVE FILM NITTO BOSEKI CO., LTD. (JP) 1999-06-08 US disclosed
CN-1037999-C Magnetic toner and method of manufacturing CANON KK (JP) 1998-04-08 CN disclosed
US-5439516-A Consists of an electron donating color forming organic compound, a heat activator and a color developer; used as recording material NIPPON PAINT CO., LTD. (JP) 1995-08-08 US disclosed
US-5284735-A Mixture of radical-polymerizable compound having two or more double bonds, photoinitiator, high molecular weight organic compound and di-substituted ethylene compound OKAMOTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-02-08 US disclosed
US-5204218-A Triphenylmethanol photobase generators and base-catalytic reaction compound MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1993-04-20 US disclosed
EP-0475086-A1 Photo-sensitive polymer composition HITACHI, LTD. (JP) 1992-03-18 EP disclosed