SCHEMBL27334367

SCHEMBL27334367

CCCCc1cc(C(=O)O)c(C)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.54
HPGD P15428 2/20 0.50
PPARA Q07869 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RARB P10826 4/20 0.49
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
METAP2 P50579 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
PPARG P37231 1/20 0.46
GPR84 Q9NQS5 2/20 0.46
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45

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
SCHEMBL28926985 0.85 KAT8 (0.54) KAT8HPGDPPARANPC1MAPK1
SCHEMBL13536264 0.84 KAT8 (0.63) KAT8HPGDPPARANPC1MAPK1
SCHEMBL27506119 0.83 KAT8 (0.41) KAT8PPARARARBALDH1A1AKR1C2
SCHEMBL9253099 0.82 HMGB1 (0.67) KAT8HPGDPPARANPC1MAPK1
SCHEMBL27531558 0.81 KAT8 (0.44) KAT8PPARARARBAKR1C2AKR1C1
SCHEMBL27508131 0.81 KAT8 (0.44) KAT8PPARARARBPPARGGPR84
SCHEMBL28515541 0.81 KAT8 (0.48) KAT8HPGDPPARANPC1MAPK1
SCHEMBL5676629 0.80 PPARA (0.62) KAT8HPGDPPARANPC1MAPK1
SCHEMBL20503286 0.80 KAT8 (0.62) KAT8HPGDPPARARARBALDH1A1
SCHEMBL10947807 0.79 HMGB1 (0.47) KAT8RAB9AALDH1A1METAP2GABRP

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
CN-1086693-C Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICAL CO LTD (JP) 2002-06-26 CN disclosed
CN-1215722-A Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1999-05-05 CN disclosed
CN-1215721-A Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1999-05-05 CN disclosed
CN-1042530-C Process for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 1999-03-17 CN disclosed
CN-1107837-A Process for producing alkylsulfinylbenzamides and 1, 2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1995-09-06 CN disclosed