SCHEMBL6510217

SCHEMBL6510217

CS(=O)(=O)Oc1ccc(CCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.44
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
MMP1 P03956 1/20 0.44
PPARG P37231 3/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
PPARA Q07869 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
APLNR P35414 1/20 0.39
CA9 Q16790 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL7688313 0.85 MMP2 (0.38) STSMMP2MMP7MMP9MMP14
SCHEMBL3838706 0.83 STS (0.63) STSMMP2MMP7MMP9MMP14
SCHEMBL575589 0.82 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL21349987 0.81 KDM4E (0.50) STSMMP2MMP7MMP9MMP14
SCHEMBL978183 0.79 PPARA (0.46) STSMMP2MMP7MMP9MMP14
SCHEMBL28939020 0.79 STS (0.44) STSMMP2MMP7MMP9MMP14
SCHEMBL2000362 0.79 STS (0.44) STSMMP2MMP7MMP9MMP14
SCHEMBL3239003 0.79 RAB9A (0.51) STSALDH1A1CA2CA12KDM4E
Hydrogen Sulfide SCHEMBL28158762 0.78 PSIP1 (0.47) STSMMP2MMP7MMP9MMP14
SCHEMBL7420399 0.78 CA2 (0.47) STSMMP2MMP7MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed