SCHEMBL8501244

SCHEMBL8501244

CCC(c1ccc(OS(C)(=O)=O)cc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
MMP2 P08253 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
MMP1 P03956 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
CXCR2 P25025 2/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CXCR1 P25024 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
SCHEMBL1821528 0.95 FFAR1 (0.42) CYP17A1MMP2MMP7MMP9MMP14
SCHEMBL6061589 0.85 MMP2 (0.41) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1823366 0.83 ALDH1A1 (0.51) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1825198 0.81 AKR1C3 (0.54) PPARGPPARACXCR2ALDH1A1GAA
SCHEMBL8501868 0.79 TDP1 (0.57) ALDH1A1GAACA12CA2
SCHEMBL575589 0.78 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL3511754 0.78 CA2 (0.50) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1826030 0.78 TDP1 (0.56) ALDH1A1GAACA12CA2
SCHEMBL3838502 0.77 CA2 (0.41) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1823354 0.77 KDM4E (0.40) MMP2MMP7MMP9MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed