SCHEMBL11261740

SCHEMBL11261740

CCc1ccc(CCC2(CCn3ccnc3)SCCCS2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.43
CYP19A1 P11511 1/20 0.41
HMOX1 P09601 2/20 0.40

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
SCHEMBL11266796 0.95 QPCT (0.45) QPCTCYP19A1HMOX1
SCHEMBL11266681 0.91 CYP19A1 (0.48) QPCTCYP19A1HMOX1
SCHEMBL11256551 0.88 CYP2A6 (0.49) CYP19A1HMOX1
SCHEMBL11261812 0.88 HMOX1 (0.55) CYP19A1HMOX1
SCHEMBL11266726 0.88 HMOX1 (0.46) QPCTCYP19A1HMOX1
SCHEMBL11270311 0.85 CYP19A1 (0.50) QPCTCYP19A1HMOX1
SCHEMBL11258567 0.85 CYP19A1 (0.39) QPCTCYP19A1HMOX1
SCHEMBL11266684 0.85 HMOX1 (0.52) CYP19A1HMOX1
SCHEMBL11254617 0.85 CYP19A1 (0.40) CYP19A1HMOX1
SCHEMBL11265311 0.84 HMOX1 (0.47) HMOX1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed