SCHEMBL8663245

SCHEMBL8663245

CC(C)C(C=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.47
ADRB2 P07550 1/20 0.46
TYR P14679 1/20 0.40
BRD4 O60885 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AOC3 Q16853 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8786777 0.83 ADRB2 (0.43) FFAR2ADRB2TYRBRD4HSD17B10
SCHEMBL10681087 0.78 ADRB2 (0.46) FFAR2ADRB2BRD4TSHRMAPK1
SCHEMBL9979942 0.78 CYP1A2 (0.39) TYR
SCHEMBL9714564 0.78 ESR1 (0.50) TYRHIF1ATDP1LMNA
SCHEMBL11815736 0.77 ADRB2 (0.50) FFAR2ADRB2TYRBRD4HSD17B10
SCHEMBL3503957 0.77 CYP2D6 (0.41) HIF1AAOC3LMNA
SCHEMBL96817 0.77 ADRB2 (0.50) FFAR2ADRB2TYRBRD4HSD17B10
SCHEMBL9862700 0.75 ALDH1A1 (0.47) TSHRMAPK1TDP1AOC3
SCHEMBL9006590 0.75 TSHR (0.50) TYRHSD17B10TSHRHIF1ALMNA
SCHEMBL9756547 0.74 SLC6A2 (0.43) FFAR2ADRB2BRD4TDP1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072037-A Aldol condensation, hydrogenation, dehydration, hydroformylati on, oxidation; purity, by-product inhibition, pollution contro l HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-10 US claimed
EP-0069761-B1 (+)-4-SUBSTITUTED-2-INDANOLS AND INSECTICIDAL ESTER DERIVATIVES FMC Corporation (US) 1985-08-14 EP claimed
EP-0069761-A4 (+)-4-SUBSTITUTED-2-INDANOLS AND INSECTICIDAL ESTER DERIVATIVES. FMC CORP (US) 1983-05-16 EP claimed
EP-0069761-A1 (+)-4-SUBSTITUTED-2-INDANOLS AND INSECTICIDAL ESTER DERIVATIVES. FMC CORP (US) 1983-01-19 EP claimed
WO-1982002321-A1 (+)-4-SUBSTITUTED-2-INDANOLS AND INSECTICIDAL ESTER DERIVATIVES FMC CORP (US) 1982-07-22 WO claimed
US-4333950-A MITICIDES FMC CORPORATION (US) 1982-06-08 US claimed
US-4263319-A CYCLOPROPYL ESTERS FMC CORPORATION (US) 1981-04-21 US claimed
CN-103553992-A One group of 2-p-chlorphenyl-3-methylbutyryl compounds UNIV QINGDAO AGRICULTURAL 2014-02-05 CN disclosed
CN-103553992-A One group of 2-p-chlorphenyl-3-methylbutyryl compounds UNIV QINGDAO AGRICULTURAL 2014-02-05 CN disclosed
CN-1041823-C Synthesis of N,N-diethylaminoethyl-4-chloro-alpha-isopropyl-benzyl carboxylate hydrochloride as plant growing regulating agent UNIV WUHAN (CN) 1999-01-27 CN disclosed
CN-1205610-A Compounds for controlling trialeurodes vaporariorum BRITISH TECH GROUP LTD (GB) 1999-01-20 CN disclosed
EP-0876099-A1 COMPOUNDS FOR CONTROL OF WHITEFLY BTG INTERNATIONAL LIMITED (GB) 1998-11-11 EP disclosed
WO-1997016067-A1 COMPOUNDS FOR CONTROL OF WHITEFLY BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-05-09 WO disclosed
US-5072037-A Aldol condensation, hydrogenation, dehydration, hydroformylati on, oxidation; purity, by-product inhibition, pollution contro l HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0436860-A1 Process for the preparation of 2-(4-chlorophenyl)-3-methyl-butanoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-17 EP disclosed