SCHEMBL10691072

SCHEMBL10691072

OCC(O)CSCc1cc(CSCC(O)CO)c(O)c(CSCC(O)CO)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.33

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
SCHEMBL10704050 0.92 CYP1A2 (0.45) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL1275420 0.86 HSPA5 (0.45) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL5873128 0.84 CYP2C9 (0.39) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL23120102 0.77 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19
SCHEMBL23120098 0.74 CYP2D6 (0.42) CYP2D6CYP1A2CYP2C19
SCHEMBL10688054 0.73 CYP1A2 (0.58) CYP1A2CYP2C9
SCHEMBL29594381 0.73 CYP1A2 (0.37) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL23120116 0.73 CYP1A2 (0.37) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL1236226 0.72 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL9089506 0.72 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9

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-4741846-A STABILIZERS FOR POLYMERS OR LUBRICANTS CIBA-GEIGY CORPORATION (US) 1988-05-03 US disclosed