SCHEMBL15417475

SCHEMBL15417475

C=C1CC2C(CC[C@@]3(C)C2C2CC2[C@@]32C=CCO2)[C@H]2CCC(=N)C=C12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.36
▸ NR3C2 P08235 7/20 0.36
▸ PGR P06401 16/20 0.36
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL12904792 0.90 AR (0.45) ARNR3C2PGRCYP19A1
SCHEMBL12904805 0.86 PDK1 (0.37) ARNR3C2PGR
SCHEMBL15417488 0.86 AR (0.39) ARNR3C2PGR
SCHEMBL15417401 0.82 AR (0.50) ARNR3C2PGRCYP19A1
SCHEMBL12942727 0.80 PGR (0.39) ARPGR
SCHEMBL15417532 0.80 AR (0.52) ARNR3C2PGR
SCHEMBL16715970 0.80 AR (0.56) ARNR3C2PGR
SCHEMBL15417445 0.79 AR (0.55) ARNR3C2PGRCYP19A1
SCHEMBL15417408 0.78 AR (0.52) ARNR3C2PGR
SCHEMBL15417407 0.78 AR (0.52) ARNR3C2PGR

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-8623850-B2 15, 16-methylene-17-(1′-propenyl)-17,3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-07 — — US disclosed
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