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Sugi Predict / Compounds / SCHEMBL9019877

SCHEMBL9019877

SCHEMBL9019877

CN(C)c1ccc([C@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3CCC4=CCCC[C@@H]4[C@H]32)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.46
▸ NR3C1 P04150 5/20 0.44
▸ AR P10275 4/20 0.44
▸ CYP19A1 P11511 14/20 0.39
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL8407238 0.85 PGR (0.62) PGRNR3C1ARCYP19A1CYP3A4
SCHEMBL10448763 0.80 PGR (0.45) PGRNR3C1ARCYP19A1CYP3A4
SCHEMBL9019843 0.80 PGR (0.42) PGRNR3C1ARCYP19A1CYP3A4
SCHEMBL7862313 0.80 CYP19A1 (0.46) CYP19A1
SCHEMBL23768679 0.79 CYP19A1 (0.45) CYP19A1
SCHEMBL7862407 0.77 CYP19A1 (0.44) CYP19A1
SCHEMBL10943585 0.76 CYP19A1 (0.45) CYP19A1
SCHEMBL23381659 0.76 PGR (0.62) PGRNR3C1ARCYP19A1CYP3A4
SCHEMBL8537252 0.76 CYP19A1 (0.47) PGRARCYP19A1CYP3A4
SCHEMBL18528916 0.76 PGR (0.38) PGRNR3C1ARCYP19A1CYP3A4

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-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP disclosed
EP-0404283-A2 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-27 — — EP disclosed
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