SCHEMBL7022136

SCHEMBL7022136

C[C@]12CC[C@@H]3[C@@H]4C(=CC(=O)C[C@H]4F)C[C@@H](CCCCCCl)[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.42

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
SCHEMBL7027408 0.85 CYP19A1 (0.55) CYP19A1
SCHEMBL8083333 0.85 CYP19A1 (0.42) CYP19A1
SCHEMBL8083238 0.85 CYP19A1 (0.42) CYP19A1
SCHEMBL4001776 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL13809850 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL3999426 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL13804521 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL6853911 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL6849201 0.79 CYP19A1 (0.40) CYP19A1
SCHEMBL8083271 0.77 CYP19A1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920441-B1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AG (DE) 2003-01-29 EP disclosed