SCHEMBL11273136

SCHEMBL11273136

CCC1CCSC(CCCc2ccc(C)cc2)(Cn2ccnc2)S1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HMOX1 P09601 4/20 0.37

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
SCHEMBL11255305 0.93 HMOX1 (0.38) HMOX1
SCHEMBL11253418 0.92 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11258556 0.91 HMOX1 (0.47) HMOX1
SCHEMBL11256549 0.91 CYP1A2 (0.37) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11259093 0.90 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11265931 0.89 KDM4E (0.42) HMOX1
SCHEMBL11268526 0.87 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11257742 0.85 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11265121 0.85 HMOX1 (0.51) HMOX1
SCHEMBL11258320 0.85 HMOX1 (0.39) CYP19A1CYP11B1CYP11B2HMOX1

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