SCHEMBL9190248

SCHEMBL9190248

CS(=O)(=O)c1ccc(C(=O)C2=C(Cl)CCCC2=O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 3/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
USP28 Q96RU2 3/20 0.39
SMO Q99835 1/20 0.38

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
SCHEMBL6866312 0.90 MAPT (0.44) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9192686 0.85 MAPT (0.41) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL7993331 0.84 PTGS1 (0.44) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9863247 0.84 MAPT (0.40) PTGS2PTGS1MAPTGAARAB9A
Ammonia Solution, Strong SCHEMBL9636076 0.83 MAPT (0.40) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9863365 0.83 MAPT (0.39) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9863368 0.83 MAPT (0.39) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9636087 0.81 MAPT (0.40) MAPTGAARAB9ALMNAMEN1
SCHEMBL9636081 0.81 MAPT (0.38) PTGS2PTGS1MAPTGAARAB9A
SCHEMBL9189885 0.80 LMNA (0.42) MAPTGAARAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673359-A1 BENZOYLCYCLOHEXENONES, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-09-27 EP disclosed
WO-1994013619-A1 BENZOYLCYCLOHEXENONES, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-06-23 WO disclosed
US-5173105-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-22 US disclosed
WO-1992013833-A1 CERTAIN SUBSTITUTED BIS(2-BENZOYL-3-OXO-CYCLOHEXENYL)DIAMINES KNUDSEN CHRISTOPHER G (US) 1992-08-20 WO disclosed
EP-0249813-B1 CERTAIN SUBSTITUTED 3-AMINO-2-BENZOYLCYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-07-24 EP disclosed
EP-0249150-B1 CERTAIN 3-(SUBSTITUTED THIO)-2-BENZOYL-CYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-05-29 EP disclosed
US-4854966-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-08-08 US disclosed
US-4837352-A FOR MAKING HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-06-06 US disclosed
US-4775411-A HERBICIDES STAUFFER CHEMICA COMPANY (US) 1988-10-04 US disclosed
US-4762551-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-08-09 US disclosed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 EP disclosed
EP-0249150-A1 Certain 3-(substituted thio)-2-benzoyl-cyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-16 EP disclosed