SCHEMBL8651291

SCHEMBL8651291

CC#CC1(O)C=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(-c4ccoc4)cc3)C[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.47
▸ NR3C1 P04150 12/20 0.47
▸ AR P10275 12/20 0.47
▸ CYP3A4 P08684 3/20 0.44
▸ NR3C2 P08235 2/20 0.36
▸ CYP2C8 P10632 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ABCB11 O95342 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
SCHEMBL8651021 0.89 PGR (0.48) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8769036 0.88 NR3C1 (0.44) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8651981 0.87 NR3C1 (0.50) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL9019806 0.86 NR3C1 (0.61) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8650867 0.86 PGR (0.49) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8664838 0.86 PGR (0.45) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8651052 0.82 PGR (0.46) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8768257 0.79 PGR (0.46) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL9019858 0.78 SERPINA6 (0.51) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8767837 0.77 PGR (0.50) PGRNR3C1ARCYP3A4NR3C2

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-0567472-B1 D-HOMO-(16-EN)-11 BETA-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AG (DE) 1998-10-07 — — EP claimed
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