SCHEMBL11267601

SCHEMBL11267601

CCCCc1ccc(CC2(CCn3ccnc3)SCC(CC)S2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
HMOX1 P09601 1/20 0.40
TBXAS1 P24557 3/20 0.38
PLA2G4A P47712 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
SCHEMBL11253358 0.94 CYP19A1 (0.37) CYP19A1HMOX1TBXAS1
SCHEMBL11257172 0.90 CYP19A1 (0.40) CYP19A1HMOX1TBXAS1
SCHEMBL11271399 0.90 CYP19A1 (0.42) CYP19A1HMOX1TBXAS1PLA2G4A
SCHEMBL11261683 0.90 PLA2G4A (0.37) CYP19A1HMOX1PLA2G4A
SCHEMBL11260023 0.90 QPCT (0.38) CYP19A1HMOX1TBXAS1
SCHEMBL11261780 0.89 CYP19A1 (0.43) CYP19A1TBXAS1
SCHEMBL11271370 0.88 HMOX1 (0.44) CYP19A1HMOX1
SCHEMBL11258901 0.88 CYP2A6 (0.43) CYP19A1HMOX1
SCHEMBL11255025 0.88 TBXAS1 (0.40) CYP19A1HMOX1TBXAS1
SCHEMBL11261626 0.86 QPCT (0.38) CYP19A1HMOX1TBXAS1

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