SCHEMBL11261691

SCHEMBL11261691

CCC1CSC(CCc2ccc(C)cc2)(Cn2ccnc2)S1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HMOX1 P09601 4/20 0.41

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
SCHEMBL11259093 0.94 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11260507 0.93 HMOX1 (0.42) HMOX1
SCHEMBL11259587 0.91 HMOX1 (0.53) HMOX1
SCHEMBL11260146 0.91 HMOX1 (0.53) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11267271 0.91 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11261852 0.90 HMOX1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11265934 0.90 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11253453 0.89 CYP11B1 (0.43) CYP11B1CYP11B2HMOX1
SCHEMBL11270475 0.89 CYP11B1 (0.45) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11263613 0.89 CYP3A4 (0.41) CYP19A1HMOX1

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