SCHEMBL8402139

SCHEMBL8402139

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C(F)C[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 19/20 0.51

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
SCHEMBL7698849 0.87 CYP19A1 (0.52) CYP19A1
SCHEMBL1656805 0.81 AR (0.58) CYP19A1
SCHEMBL13809834 0.81 AR (0.58) CYP19A1
SCHEMBL1868136 0.77 CYP19A1 (0.52) CYP19A1
SCHEMBL8402137 0.75 CYP19A1 (0.50) CYP19A1
SCHEMBL3658069 0.75 CYP19A1 (0.65) CYP19A1
SCHEMBL11022948 0.71 CYP19A1 (0.58) CYP19A1
SCHEMBL7698847 0.71 CYP19A1 (0.50) CYP19A1
SCHEMBL1860990 0.70 CYP19A1 (0.46) CYP19A1
SCHEMBL1867163 0.69 CYP19A1 (0.46) CYP19A1

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
EP-0920441-A1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 — — EP disclosed
WO-1998007740-A1 7α-(κ-AMINOALKYL)ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7α-(κ-AMINOALKYL)ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 — — WO disclosed
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