SCHEMBL9192183

SCHEMBL9192183

C=CCOc1ccc(S(=O)(=O)CCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
KAT6A Q92794 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 3/20 0.41
MMP1 P03956 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 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
SCHEMBL9187008 0.91 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9191383 0.86 MCL1 (0.46) CA1CA2ALDH1A1MCL1MMP1
SCHEMBL9187180 0.86 CA2 (0.46) CA2ALDH1A1MCL1MMP1HSD17B10
SCHEMBL9187998 0.85 MCL1 (0.48) ALDH1A1MCL1MMP1HSD17B10KDM4E
SCHEMBL9190740 0.84 CA2 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL9192741 0.84 CA2 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL9192772 0.84 MCL1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL9187575 0.84 CA1 (0.47) CA1CA2ALDH1A1MCL1MMP1
SCHEMBL9185774 0.84 ALDH1A1 (0.48) ALDH1A1MCL1MMP1HSD17B10KDM4E
SCHEMBL9186772 0.84 HTT (0.52) ALDH1A1L3MBTL1MCL1MMP1HSD17B10

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-0403833-B1 Recording material NEW OJI PAPER CO LTD (JP) 1995-09-27 EP disclosed
US-5094999-A Salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-10 US disclosed