SCHEMBL11265338

SCHEMBL11265338

Cc1ccc(CCC2(Cn3ccnc3)SCCCS2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HMOX1 P09601 3/20 0.46

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
SCHEMBL10247104 0.95 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11269161 0.93 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11266681 0.89 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11257742 0.88 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11262618 0.88 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11261667 0.88 HMOX1 (0.60) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11256591 0.88 HMOX1 (0.54) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11264774 0.88 CYP1A2 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11257492 0.88 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11262523 0.87 CYP3A4 (0.45) CYP19A1CYP11B1HMOX1

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