SCHEMBL11261683

SCHEMBL11261683

CCCCc1ccc(CC2(Cn3ccnc3)SCC(CC)S2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.37
HMOX1 P09601 4/20 0.37
CYP19A1 P11511 1/20 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
SCHEMBL11259935 0.94 HMOX1 (0.38) HMOX1
SCHEMBL11267601 0.90 CYP19A1 (0.40) PLA2G4AHMOX1CYP19A1
SCHEMBL11255084 0.89 HMOX1 (0.40) PLA2G4AHMOX1CYP19A1
SCHEMBL11267566 0.89 QPCT (0.35) HMOX1CYP19A1
SCHEMBL11270475 0.88 CYP11B1 (0.45) HMOX1CYP19A1
SCHEMBL11265306 0.87 CYP2A6 (0.45) HMOX1CYP19A1
SCHEMBL11255306 0.87 HMOX1 (0.44) HMOX1CYP19A1
SCHEMBL11266363 0.87 CYP11B1 (0.42) CYP19A1
SCHEMBL11252125 0.85 HMOX1 (0.39) HMOX1
SCHEMBL11264747 0.85 LMNA (0.37) HMOX1CYP19A1

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