SCHEMBL8407121

SCHEMBL8407121

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\CO)[C@@H]3C[C@H](C)C4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.39
▸ AR P10275 9/20 0.38
▸ NR3C1 P04150 12/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8409944 1.00 PGR (0.39) PGRARNR3C1CYP3A4HIF1A
SCHEMBL8536196 0.86 PGR (0.53) PGRARNR3C1CYP3A4HIF1A
SCHEMBL8768021 0.86 PGR (0.53) PGRARNR3C1CYP3A4HIF1A
SCHEMBL8407038 0.86 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8409808 0.86 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8410075 0.86 PGR (0.37) PGRARNR3C1CYP3A4
SCHEMBL8409853 0.86 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8407400 0.86 PGR (0.36) PGRARNR3C1CYP3A4
SCHEMBL8410097 0.86 PGR (0.37) PGRARNR3C1CYP3A4
SCHEMBL8407082 0.85 PGR (0.42) 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 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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