SCHEMBL11269550

SCHEMBL11269550

CCCCC1CSC(CCc2ccc(C)cc2)(CCn2ccnc2)S1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
QPCT Q16769 1/20 0.38
HMOX1 P09601 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL11267807 0.91 HMOX1 (0.44) HMOX1
SCHEMBL11272439 0.91 HMOX1 (0.38) CYP19A1CYP11B1CYP11B2QPCTHMOX1
SCHEMBL11265934 0.91 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11265825 0.91 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2QPCTTBXAS1
SCHEMBL11267271 0.90 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2QPCTHMOX1
SCHEMBL11264351 0.90 CYP3A4 (0.43) QPCTTBXAS1
SCHEMBL11256993 0.86 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11265012 0.86 QPCT (0.40) CYP19A1CYP11B1CYP11B2QPCTHMOX1
SCHEMBL10780964 0.86 TBXAS1 (0.43) CYP19A1QPCTTBXAS1
SCHEMBL11251457 0.85 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2QPCTHMOX1

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