SCHEMBL9861747

SCHEMBL9861747

COc1ccc(COS(=O)(O)=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
HTT P42858 2/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APLNR P35414 1/20 0.46
PKM P14618 2/20 0.44
CALM1 P0DP23 1/20 0.44
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.44
PTPRB P23467 1/20 0.43
APP P05067 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LDHA P00338 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10501977 0.87 CA2 (0.54) IDO1AGXT
SCHEMBL6212124 0.85 IDO1 (0.52) IDO1AGXTHTTPOLBNPC1
SCHEMBL9861765 0.81 CA2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9861023 0.81 CA2 (0.61) AGXTNPC1RAB9AGAAALDH1A1
SCHEMBL9861492 0.81 POLB (0.50) POLBNPC1RAB9APKMGAA
SCHEMBL6212120 0.81 IDO1 (0.55) IDO1AGXTHTTPOLBNPC1
SCHEMBL5937187 0.79 APLNR (0.59) IDO1AGXTHTTPOLBNPC1
SCHEMBL9861407 0.79 CA2 (0.46) POLBSMN1; SMN2GAAALDH1A1
SCHEMBL10859327 0.78 IDO1 (0.50) IDO1AGXTAPP
SCHEMBL28660021 0.78 CA2 (0.73) IDO1AGXTHTTPOLBAPLNR

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