SCHEMBL11260418

SCHEMBL11260418

CCc1ccc(CC2(CCn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HMOX1 P09601 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TBXAS1 P24557 1/20 0.34

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
SCHEMBL11252522 0.91 CYP19A1 (0.38) HMOX1CYP19A1
SCHEMBL11267712 0.91 CYP19A1 (0.46) QPCTALDH1A1HMOX1CYP19A1CYP11B1
SCHEMBL11264326 0.90 HMOX1 (0.46) ALDH1A1KDM4EHMOX1CYP19A1CYP11B1
SCHEMBL11255079 0.90 HMOX1 (0.41) QPCTHMOX1CYP19A1
SCHEMBL11255906 0.90 CYP2A6 (0.46) KDM4EHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11262929 0.90 QPCT (0.40) QPCTALDH1A1KDM4EHMOX1CYP19A1
SCHEMBL11260873 0.90 CYP19A1 (0.43) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11271399 0.89 CYP19A1 (0.42) HMOX1CYP19A1TBXAS1
SCHEMBL11256826 0.89 QPCT (0.40) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11260023 0.89 QPCT (0.38) QPCTALDH1A1KDM4EHMOX1CYP19A1

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