SCHEMBL7208671

SCHEMBL7208671

O=C1CC(=O)C(C(=O)c2ccccc2)C(=O)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
HBB P68871 1/20 0.55
MCL1 Q07820 1/20 0.49
EP300 Q09472 1/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CFTR P13569 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
SCHEMBL169913 0.82 MCL1 (0.65) MAPTHTTALOX15HBBMCL1
SCHEMBL9814781 0.78 MAPT (0.53) MAPTHTTALOX15HBBMCL1
SCHEMBL18227958 0.77 HTT (0.52) MAPTHTTALOX15HBBMCL1
SCHEMBL2187877 0.76 MCL1 (0.62) MAPTHTTALOX15HBBMCL1
SCHEMBL19283631 0.76 MAPT (0.50) MAPTHTTALOX15HBBMCL1
SCHEMBL10500501 0.76 MAPT (0.50) MAPTHTTALOX15HBBMCL1
SCHEMBL9879522 0.73 MCL1 (0.42) MAPTHTTALOX15HBBMCL1
SCHEMBL14867413 0.72 MCL1 (0.53) MAPTHTTALOX15HBBMCL1
SCHEMBL4875427 0.72 MAPT (0.50) MAPTHTTALOX15HBBMCL1
SCHEMBL11451081 0.71 MAPT (1.00) MAPTHTTALOX15HBBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252298-B1 CERTAIN 2-BENZOYL-1,3,5-CYCLOHEXANETRIONES STAUFFER CHEMICAL COMPANY (US) 1991-10-16 EP claimed
JP-63002948-A None JP disclosed
EP-0966453-B1 SACCHARINE-5-CARBONYL-CYCLOHEXANE-1,3,5-TRIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AG (DE) 2003-07-23 EP disclosed
US-6083880-A Saccharine-5-carbonyl-cyclohexane-1, 3, 5-trione derivatives, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
US-5210312-A Preparing herbicidal tetraalkyl cyclohexan-1,3,5-triones from unalkylated benzenetriols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-11 US 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
EP-0252298-B1 CERTAIN 2-BENZOYL-1,3,5-CYCLOHEXANETRIONES STAUFFER CHEMICAL COMPANY (US) 1991-10-16 EP disclosed
EP-0252298-B1 CERTAIN 2-BENZOYL-1,3,5-CYCLOHEXANETRIONES STAUFFER CHEMICAL COMPANY (US) 1991-10-16 EP disclosed
WO-1991013547-A1 HERBICIDAL COMPOSITIONS OF AROYLATED 1,3-DICARBONYL OR 1,3,5-TRICARBONYL CYCLOHEXANE HERBICIDES AND TWO-PART ANTIDOTE SYSTEM THEREFOR AHLE JAMES L (US) 1991-09-19 WO disclosed
WO-1991013548-A1 HERBICIDAL COMPOSITIONS OF AROYLATED 1,3-DICARBONYL OR 1,3,5-TRICARBONYL CYCLOHEXANE HERBICIDES AND AN ANTIDOTE SYSTEM THEREFOR AHLE JAMES L (US) 1991-09-19 WO disclosed
US-4806146-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-02-21 US disclosed
EP-0298679-A2 Herbicidal compositions of acylated 1,3,5-tricarbonyl cyclohexane herbicides and antidotes therefor ICI AMERICAS INC. (US) 1989-01-11 EP disclosed
US-4797150-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-01-10 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-0283152-A2 Process for the preparation of substituted cyclohexane-1,3,5-triones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-21 EP disclosed
EP-0252298-A3 CERTAIN 2-BENZOYL-1,3,5-CYCLOHEXANETRIONES 1988-06-29 EP disclosed
EP-0252298-A2 Certain 2-benzoyl-1,3,5-cyclohexanetriones STAUFFER CHEMICAL COMPANY (US) 1988-01-13 EP disclosed
EP-0252298-A2 Certain 2-benzoyl-1,3,5-cyclohexanetriones STAUFFER CHEMICAL COMPANY (US) 1988-01-13 EP disclosed
JP-S632948-A 2-BENZOYL-1,3,5-CYCLOHEXANETRIONES AND SALTS STAUFFER CHEMICAL CO 1988-01-07 JP disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed