SCHEMBL10938448

SCHEMBL10938448

C#CC[C@]12C[C@H](O)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 20/20 0.70
▸ OR51E2 Q9H255 1/20 0.56

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
SCHEMBL11022288 0.87 CYP19A1 (0.74) CYP19A1OR51E2
SCHEMBL10938830 0.87 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL10938836 0.87 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL23711134 0.87 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL10936954 0.87 CYP19A1 (0.74) CYP19A1OR51E2
SCHEMBL23743976 0.87 CYP19A1 (0.80) CYP19A1OR51E2
Plomestane SCHEMBL1552197 0.83 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL9171652 0.83 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL29400102 0.83 CYP19A1 (1.00) CYP19A1OR51E2
Plomestane SCHEMBL3434 0.83 CYP19A1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4546098-A ANTIESTROGENS; HORMONE INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 1985-10-08 — — US claimed
US-4546098-A ANTIESTROGENS; HORMONE INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 1985-10-08 — — US disclosed
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