SCHEMBL9019814

SCHEMBL9019814

CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]34C=CCO4)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 18/20 0.71
▸ AR P10275 17/20 0.63
▸ NR3C1 P04150 8/20 0.63
▸ NR3C2 P08235 9/20 0.61
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL8423175 0.83 PGR (1.00) PGRARNR3C1CYP3A4
SCHEMBL9019765 0.83 PGR (0.73) PGRARNR3C1NR3C2CYP3A4
SCHEMBL9019789 0.82 PGR (0.69) PGRARNR3C1CYP3A4
SCHEMBL9019846 0.79 NR3C1 (0.83) PGRARNR3C1NR3C2CYP3A4
SCHEMBL9019768 0.79 PGR (0.68) PGRARNR3C1NR3C2CYP3A4
SCHEMBL9019878 0.79 NR3C1 (0.69) PGRARNR3C1NR3C2CYP3A4
SCHEMBL20048408 0.78 NR3C1 (0.81) PGRARNR3C1CYP3A4
SCHEMBL30107690 0.78 PGR (0.66) PGRARNR3C1NR3C2CYP3A4
SCHEMBL7148546 0.77 PGR (0.65) PGRARNR3C1CYP3A4
SCHEMBL7148540 0.77 PGR (0.65) PGRARNR3C1CYP3A4

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 4 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 claimed
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 claimed
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
Send feedback