SCHEMBL17525950

SCHEMBL17525950

CO[C@H]1CCC2C3CCc4c(ccc(C#N)c4F)C3[C@@H](C)C[C@@]21C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
STS P08842 1/20 0.30

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
SCHEMBL17525952 0.88 AR (0.33)
SCHEMBL17525951 0.81 CYP19A1 (0.53) CYP19A1STS
SCHEMBL13951898 0.77 STS (0.48) CYP19A1STS
SCHEMBL17525955 0.69 ESR1 (0.47) CYP19A1STS
SCHEMBL13952049 0.69 STS (0.47) STS
SCHEMBL13951950 0.68 STS (0.40) STS
SCHEMBL13951900 0.67 STS (0.46) CYP19A1STS
SCHEMBL17525954 0.67 STS (0.41) STS
SCHEMBL13951902 0.65 STS (0.47) CYP19A1STS
SCHEMBL13951897 0.63 STS (0.45) CYP19A1STS

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-2147014-B1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECH INC (CA) 2016-02-17 EP disclosed