SCHEMBL6913702

SCHEMBL6913702

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 17/20 0.46
▸ PGR P06401 2/20 0.40
▸ AR P10275 2/20 0.40
▸ NR3C2 P08235 1/20 0.40

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
SCHEMBL908462 1.00 CYP19A1 (0.46) CYP19A1PGRARNR3C2
SCHEMBL13804522 1.00 CYP19A1 (0.46) CYP19A1PGRARNR3C2
SCHEMBL6840974 0.87 CYP19A1 (0.47) CYP19A1PGRARNR3C2
SCHEMBL4587495 0.81 CYP19A1 (0.44) CYP19A1PGRARNR3C2
SCHEMBL1656805 0.78 AR (0.58) CYP19A1PGRARNR3C2
SCHEMBL13809834 0.78 AR (0.58) CYP19A1PGRARNR3C2
SCHEMBL12902157 0.74 CYP19A1 (0.64) CYP19A1PGR
SCHEMBL908750 0.74 CYP19A1 (0.64) CYP19A1PGR
SCHEMBL4588011 0.73 CYP19A1 (0.49) CYP19A1PGRARNR3C2
SCHEMBL13804516 0.73 CYP19A1 (0.49) CYP19A1PGRARNR3C2

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
US-6677324-B1 MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 — — US disclosed
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