SCHEMBL10891815

SCHEMBL10891815

C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CC#N)[C@@H]1CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 1.00
OR51E2 Q9H255 1/20 0.73

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
SCHEMBL10891805 1.00 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL3434 0.89 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL9171652 0.89 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL1552197 0.89 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL29400102 0.89 CYP19A1 (1.00) CYP19A1OR51E2
SCHEMBL11228557 0.88 CYP19A1 (0.78) CYP19A1OR51E2
SCHEMBL11228561 0.88 CYP19A1 (0.78) CYP19A1OR51E2
SCHEMBL10480192 0.87 CYP19A1 (0.77) CYP19A1OR51E2
SCHEMBL10480169 0.87 CYP19A1 (0.77) CYP19A1OR51E2
SCHEMBL10480247 0.87 CYP19A1 (0.77) CYP19A1OR51E2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104489-B1 AMINOALKYL STEROIDS G.D. Searle & Co. (US) 1986-12-03 EP disclosed
US-4495102-A Aminoalkyl steroids G. D. SEARLE & CO. (US) 1985-01-22 US disclosed
EP-0104489-A1 Aminoalkyl steroids G.D. Searle & Co. (US) 1984-04-04 EP disclosed