SCHEMBL7344969

SCHEMBL7344969

O=C1CCCC(=O)C1C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPD P32754 1/20 0.44
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10815118 0.93 SMN1; SMN2 (0.53) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10191434 0.84 HPGD (0.50) ALDH1A1HPD
SCHEMBL9814786 0.84 SMN1; SMN2 (0.47) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL15133257 0.84 HPD (0.42) HPD
SCHEMBL13780019 0.81 HPD (0.40) HPD
SCHEMBL9874230 0.81 P2RX7 (0.49) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10192440 0.80 MAPK1 (0.46) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL9711583 0.80 SMN1; SMN2 (0.44) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9134337 0.80 HPD (0.64) KDM4EMAPTHPD
SCHEMBL10192439 0.79 CES2 (0.48) TSHRSMN1; SMN2ALDH1A1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563817-A2 Salts of 2-benzoyl-cyclohexane diones, selective herbicidal agents, process for their preparation and their use for combatting weeds HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed
EP-0090262-B1 CERTAIN 2-(2-SUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES STAUFFER CHEMICAL COMPANY (US) 1992-08-05 EP disclosed
US-5085688-A Certain 2-(2-chloro-3-alkoxy-4-substituted benzoyl)-5-methyl-5-1,3-cyclohexanediones as herbicides ICI AMERICAS INC. (US) 1992-02-04 US disclosed
US-5006158-A Herbicides ICI AMERICAS INC. (US) 1991-04-09 US disclosed
US-4957540-A HERBICIDES ICI AMERICAS INC. (US) 1990-09-18 US disclosed
US-4946981-A HERBICIDES ICI AMERICAS INC. (US) 1990-08-07 US disclosed
US-4918236-A HERBICIDES ICI AMERICAS INC. (US) 1990-04-17 US disclosed
US-4853028-A Certain 2-(2-substituted benzoyl)-1,3-cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1989-08-01 US disclosed
US-4822906-A HERBICIDE INTERMEDIATE STAUFFER CHEMICAL COMPANY (US) 1989-04-18 US disclosed
US-4816066-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-03-28 US disclosed
US-4806146-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-02-21 US disclosed
US-4780127-A Certain 2-(substituted benzoyl)-1,3-cyclohexanediones and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1988-10-25 US disclosed
EP-0137963-B1 CERTAIN 2-(2-SUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES STAUFFER CHEMICAL COMPANY (US) 1988-09-28 EP disclosed
EP-0253124-A2 Certain substituted 3-(substituted oxy)-2-benzoyl-cyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1988-01-20 EP disclosed
EP-0137963-A1 Certain 2-(2-substituted Benzoyl)-1,3-Cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1985-04-24 EP disclosed
EP-0090262-A2 Certain 2-(2-substituted benzoyl)-1,3-cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1983-10-05 EP disclosed