SCHEMBL11255945

SCHEMBL11255945

Cc1ccc(CC2(CCCn3ccnc3)SCCC(C)S2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.43
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PRKCI P41743 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HMOX1 P09601 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
SCHEMBL11259583 0.91 HMOX1 (0.42) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11259980 0.91 QPCT (0.41) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11264282 0.90 CYP11B1 (0.42) QPCTCYP11B1CYP11B2PRKCIALDH1A1
SCHEMBL11271243 0.89 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11260497 0.89 CYP19A1 (0.42) CYP19A1PRKCIHMOX1
SCHEMBL11269437 0.88 QPCT (0.49) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11261707 0.86 QPCT (0.39) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11251892 0.86 QPCT (0.47) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11256826 0.85 QPCT (0.40) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11267485 0.84 CYP19A1 (0.43) QPCTCYP19A1CYP11B1CYP11B2HMOX1

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