SCHEMBL8409113

SCHEMBL8409113

CCOC1=CC2=CC[C@@H]3[C@H]([C@@H](c4ccc(N(C)C)cc4)C[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.39
▸ PGR P06401 6/20 0.37
▸ NR3C1 P04150 6/20 0.37
▸ AR P10275 4/20 0.37
▸ CYP19A1 P11511 9/20 0.34
▸ EBP Q15125 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GRAMD1A Q96CP6 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32

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
SCHEMBL8409403 0.89 SRD5A2 (0.39) SRD5A2PGRNR3C1ARCYP19A1
SCHEMBL8407060 0.83 SRD5A2 (0.38) SRD5A2CYP19A1CYP3A4
SCHEMBL6841930 0.83 SRD5A2 (0.44) SRD5A2CYP19A1CYP3A4
SCHEMBL9811534 0.80 SRD5A2 (0.41) SRD5A2CYP19A1CYP3A4
SCHEMBL23131219 0.80 NR3C1 (0.41) SRD5A2PGRNR3C1ARCYP19A1
SCHEMBL21539663 0.80 NR3C1 (0.41) SRD5A2PGRNR3C1ARCYP19A1
SCHEMBL21143398 0.80 NR3C1 (0.41) SRD5A2PGRNR3C1ARCYP19A1
SCHEMBL8623329 0.79 NR3C1 (0.51) PGRNR3C1ARSIGMAR1CYP3A4
SCHEMBL17591557 0.77 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17831186 0.77 SRD5A2 (0.63) SRD5A2CYP19A1

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-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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