SCHEMBL8960143

SCHEMBL8960143

Cc1ccc(C(C)C(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
GRM1 Q13255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.41
SRC P12931 1/20 0.41
TP53 P04637 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39

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
SCHEMBL8960497 1.00 TRPA1 (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL27766136 0.86 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7152600 0.84 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7146617 0.84 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3670597 0.84 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL28745580 0.82 PTGS1 (0.42) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL28238190 0.82 TRPA1 (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7237387 0.82 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7864024 0.82 MEN1 (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL16207512 0.81 PTGS2 (0.52) TRPA1LMNACHRM1SLC6A2ADRA1A

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
US-9783654-B2 Additives and methods for terminating polymerization and/or reducing viscosity of polymer solution CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-10-10 US claimed
US-20130158174-A1 ADDITIVES AND METHODS FOR TERMINATING POLYMERIZATION AND/OR REDUCING VISCOSITY OF POLYMER SOLUTION BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2013-06-20 US claimed
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
CN-112682031-A Oil field interwell tracer, tracing method and fracturing fluid 中国石油化工股份有限公司 2021-04-20 CN disclosed
US-9783654-B2 Additives and methods for terminating polymerization and/or reducing viscosity of polymer solution CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-10-10 US disclosed
CN-106431897-A New compounding technology for 2,4,6-trimethyl phenylacetyl chloride 宿迁科思化学有限公司 2017-02-22 CN disclosed
US-20130158174-A1 ADDITIVES AND METHODS FOR TERMINATING POLYMERIZATION AND/OR REDUCING VISCOSITY OF POLYMER SOLUTION BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2013-06-20 US disclosed
EP-0441979-B1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEM (JP) 1996-01-31 EP disclosed
US-5045336-A Reducing sweet taste of high sugar foods, organic acids and acid salts AMSTAR SUGAR CORPORATION (US) 1991-09-03 US disclosed
EP-0441979-A1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP disclosed
US-4723033-A REACTING ALPHA METAL ACID DERIVATIVE AND ARYL HALIDE WITH OPTICALLY ACTIVE CATALYST SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1988-02-02 US disclosed
EP-0110671-B1 PREPARATION OF OPTICALLY ACTIVE ALPHA-ARYLALKANOIC ACIDS AND PRECURSORS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-05-21 EP disclosed
EP-0159864-A2 Method of modifying taste TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1985-10-30 EP disclosed
EP-0110671-A1 Preparation of optically active alpha-arylalkanoic acids and precursors thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1984-06-13 EP disclosed