SCHEMBL11262389

SCHEMBL11262389

CCCCc1ccc(CC2(CCCn3ccnc3)SCC(C)CS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
HMOX1 P09601 1/20 0.44
TBXAS1 P24557 3/20 0.41
PRKCI P41743 1/20 0.38

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
SCHEMBL11261083 0.88 QPCT (0.45) CYP19A1HMOX1PRKCI
SCHEMBL11267575 0.87 CYP19A1 (0.46) CYP19A1HMOX1TBXAS1PRKCI
SCHEMBL11265597 0.87 CYP2A6 (0.45) CYP19A1HMOX1
SCHEMBL11265592 0.87 CYP19A1 (0.42) CYP19A1TBXAS1PRKCI
SCHEMBL11265988 0.85 CYP19A1 (0.42) CYP19A1HMOX1TBXAS1PRKCI
SCHEMBL11271399 0.85 CYP19A1 (0.42) CYP19A1HMOX1TBXAS1
SCHEMBL11260497 0.85 CYP19A1 (0.42) CYP19A1HMOX1TBXAS1PRKCI
SCHEMBL11261242 0.84 CYP19A1 (0.46) CYP19A1HMOX1TBXAS1PRKCI
SCHEMBL11262929 0.84 QPCT (0.40) CYP19A1HMOX1TBXAS1
SCHEMBL11268229 0.84 CYP19A1 (0.46) 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