SCHEMBL9691978

SCHEMBL9691978

CSC1CCC(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
GPR6 P46095 1/20 0.36
NR1I2 O75469 1/20 0.36
CACNA1B Q00975 1/20 0.36
SMO Q99835 1/20 0.35
USP28 Q96RU2 5/20 0.35

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
SCHEMBL10625971 0.84 AVPR2 (0.43) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8741084 0.84 LMNA (0.41) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL55030 0.80 LMNA (0.47) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL29565861 0.80 LMNA (0.47) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL16899684 0.80 LMNA (0.47) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8943111 0.77 LMNA (0.43) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL30512759 0.77 LMNA (0.43) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL7037935 0.76 MAPT (0.43) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL9065438 0.76 MAPT (0.43) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL9134108 0.76 LMNA (0.44) LMNAMEN1KMT2AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268795-B1 2-(2-SUBSTITUTED BENZOYL)-4-(SUBSTITUTED OXY OR SUBSTITUTED THIO)-1,3-CYCLOHEXANEDIONES, A PROCESS FOR THEIR PRODUCTION AND A HERBICIDAL COMPOSITION CONTAINING THEM STAUFFER CHEMICAL COMPANY (US) 1992-03-25 EP disclosed
US-4808214-A CONTROLLING UNDESIRABLE VEGETATION STAUFFER CHEMICAL COMPANY (US) 1989-02-28 US disclosed
US-4808338-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-02-28 US disclosed
US-4783213-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-11-08 US disclosed
EP-0268795-A2 2-(2-substituted benzoyl)-4-(substituted oxy or substituted thio)-1,3-cyclohexanediones, a process for their production and a herbicidal composition containing them STAUFFER CHEMICAL COMPANY (US) 1988-06-01 EP disclosed