SCHEMBL8893349

SCHEMBL8893349

COc1ccc(CCC(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
FABP4 P15090 1/20 0.49
FFAR4 Q5NUL3 6/20 0.49
FFAR1 O14842 5/20 0.49
HTT P42858 1/20 0.47
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 1/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5A P35218 2/20 0.46
CA12 O43570 1/20 0.46
PPARA Q07869 1/20 0.46
CA7 P43166 1/20 0.45
FFAR2 O15552 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
SCHEMBL9633026 0.89 PKM (0.55) PKMCA1CA2HTTALOX5
SCHEMBL9633238 0.86 IAPP (0.52) PKMCA1CA2HTTALOX5
SCHEMBL8095827 0.85 GAA (0.65) PKMFABP4HTTGAATDP1
SCHEMBL1803678 0.84 PKM (0.55) PKMCA1CA2HTTCA9
SCHEMBL9632482 0.83 PKM (0.52) PKMCA1CA2HTTALOX5
SCHEMBL1803675 0.82 PKM (0.56) PKMCA1CA2HTTCA9
SCHEMBL10639502 0.82 PKM (0.53) PKMCA1CA2ALOX5CA9
SCHEMBL142264 0.82 KDM4E (0.62) PKMCA1CA2CYP19A1CA9
SCHEMBL8167206 0.81 PKM (0.51) PKMCA1CA2HTTCA9
SCHEMBL27593086 0.81 PKM (0.51) PKMCA1CA2HTTCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed