SCHEMBL9019878

SCHEMBL9019878

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.69
▸ PGR P06401 16/20 0.69
▸ AR P10275 13/20 0.69
▸ CYP3A4 P08684 3/20 0.59
▸ CYP2C8 P10632 1/20 0.47
▸ NR3C2 P08235 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8767796 0.89 PGR (0.55) NR3C1PGRARCYP3A4LMNA
SCHEMBL9019768 0.89 PGR (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL30107690 0.87 PGR (0.66) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8536387 0.84 PGR (0.51) NR3C1PGRARCYP3A4LMNA
SCHEMBL8536118 0.84 PGR (0.51) NR3C1PGRARCYP3A4LMNA
SCHEMBL9019846 0.84 NR3C1 (0.83) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL20048408 0.82 NR3C1 (0.81) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL7148540 0.82 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL6453812 0.82 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL7148546 0.82 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8

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
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
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