SCHEMBL9847778

SCHEMBL9847778

CCC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)c(C(C)(C)CC)cc1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.49
CYP19A1 P11511 1/20 0.41

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
SCHEMBL9847760 0.84 AR (0.50) ARCYP19A1
SCHEMBL9847755 0.75 AR (0.48) ARCYP19A1
SCHEMBL8623452 0.75 AR (0.53) ARCYP19A1
SCHEMBL23618035 0.73 AR (0.55) ARCYP19A1
SCHEMBL4581525 0.73 CYP19A1 (0.65) ARCYP19A1
SCHEMBL29390509 0.73 CYP19A1 (0.65) ARCYP19A1
SCHEMBL8626769 0.73 AR (0.45) ARCYP19A1
SCHEMBL22043401 0.73 GLA (0.45) AR
SCHEMBL1940627 0.72 AR (0.57) ARCYP19A1
SCHEMBL21270043 0.72 AR (0.71) ARCYP19A1

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
EP-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed