SCHEMBL7982393

SCHEMBL7982393

O=[S@@](O)(=S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
MMP2 P08253 3/20 0.52
MMP7 P09237 2/20 0.52
MMP14 P50281 2/20 0.52
GAA P10253 3/20 0.47
MMP1 P03956 2/20 0.47
MMP12 P39900 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL15708959 1.00 CA12 (0.56) CA12CA1CA2CA9MMP2
SCHEMBL18817569 0.85 SMN1; SMN2 (0.62) CA12CA1CA2CA9MMP2
SCHEMBL588340 0.85 SMN1; SMN2 (0.62) CA12CA1CA2CA9MMP2
Biphenyl SCHEMBL11714881 0.83 ALDH1A1 (0.53) CA12CA1CA2CA9MMP2
SCHEMBL30029777 0.81 TSHR (0.71) CA12CA1CA2CA9MMP2
SCHEMBL15849846 0.81 TSHR (0.71) CA12CA1CA2CA9MMP2
SCHEMBL34718 0.81 TSHR (0.71) CA12CA1CA2CA9MMP2
SCHEMBL21993467 0.81 TSHR (0.71) CA12CA1CA2CA9MMP2
SCHEMBL11746268 0.79 TSHR (0.68) CA12CA1CA2CA9MMP2
Water SCHEMBL27390421 0.79 TSHR (0.68) CA12CA1CA2CA9MMP2

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
US-6271415-B1 PREPARATION STARTING FROM S-(4-BIPHENYL)-SULPHINIC ACIDS AND SALTS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
CN-1277603-A S-(4-Biphenyl)-thiosulphuric acids and their salts method for producing the same and method for producing 4-mercaptobiphenyls BAYER AG (DE) 2000-12-20 CN disclosed