SCHEMBL7972505

SCHEMBL7972505

CC(C)C1(O)CCC(C)(S)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 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
SCHEMBL130746 0.83
SCHEMBL13623179 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL941164 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL23790310 0.75 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17487274 0.72 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2292865 0.71
SCHEMBL2295003 0.71
SCHEMBL12683807 0.70 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL12697929 0.70 EPHX1 (0.37) OPRM1OPRD1OPRK1OPRL1
SCHEMBL18268918 0.69 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1

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
WO-2001077359-A2 PREPARATION OF THIOLS AND DERIVATIVES BY BIO-CONVERSION SOCIETE DES PRODUITS NESTLE S.A. (CH) 2001-10-18 WO disclosed
WO-2001077096-A2 PREPARATION OF NATURAL THIOACETATES AND DERIVATIVES SOCIETE DES PRODUITS NESTLE S.A. (CH) 2001-10-18 WO disclosed