SCHEMBL7200581

SCHEMBL7200581

C[C@]12C[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)/C=C/CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.50
▸ NR3C1 P04150 10/20 0.50
▸ AR P10275 8/20 0.50
▸ CYP3A4 P08684 3/20 0.48
▸ ABCB11 O95342 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CHRM2 P08172 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35

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
SCHEMBL9019818 1.00 PGR (0.50) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8768221 1.00 PGR (0.50) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8536675 1.00 PGR (0.50) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8653821 0.95 PGR (0.47) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8541351 0.88 PGR (0.53) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8541353 0.88 PGR (0.53) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8538261 0.88 PGR (0.53) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8539945 0.88 PGR (0.48) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL9019835 0.87 PGR (0.49) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8540843 0.86 PGR (0.53) PGRNR3C1ARCYP3A4ABCB11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596713-B1 Antigestagenic, antiglucocorticoidal, antimineralcorticoidal or antiandrogenic effect SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-22 — — US disclosed
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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