SCHEMBL9861753

SCHEMBL9861753

COc1ccc(CSOS(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
IDO1 P14902 3/20 0.49
APLNR P35414 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
APP P05067 1/20 0.42
HTT P42858 2/20 0.42
LDHA P00338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL9861771 0.82 IDO1 (0.43) IDO1CA2ALDH1A1SMN1; SMN2DAO
SCHEMBL9861031 0.82 BCHE (0.44) BCHEACHEIDO1CA12CA1
SCHEMBL9861500 0.82 CYP1A2 (0.51) ALDH1A1TP53CYP3A4
SCHEMBL10859332 0.79 IDO1 (0.43) BCHEACHEIDO1CA12CA1
SCHEMBL5078812 0.78 CYP2C19 (0.40) BCHEACHEIDO1CA12CA1
SCHEMBL9861383 0.78 BCHE (0.41) BCHEACHEIDO1CA12CA1
SCHEMBL9860976 0.78 BCHE (0.48) BCHEACHECA1CA2CA9
SCHEMBL9861692 0.77 MAPK1 (0.49) HTTALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL10709455 0.77 CYP2C19 (0.39) BCHEACHEIDO1CA12CA1
SCHEMBL10708916 0.77 CYP2C19 (0.39) BCHEACHEIDO1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed