SCHEMBL8664838

SCHEMBL8664838

CC#CC1(O)C(Cl)=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 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.45
▸ NR3C1 P04150 13/20 0.45
▸ AR P10275 11/20 0.45
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C8 P10632 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ABCB11 O95342 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL8651052 0.89 PGR (0.46) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8651931 0.87 NR3C1 (0.49) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8651291 0.86 PGR (0.47) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8652950 0.86 PGR (0.48) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8653889 0.85 PGR (0.44) PGRNR3C1ARCYP3A4
SCHEMBL9019806 0.84 NR3C1 (0.61) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8651021 0.82 PGR (0.48) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8769036 0.81 NR3C1 (0.44) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8653083 0.78 PGR (0.47) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8768257 0.77 PGR (0.46) PGRNR3C1ARCYP3A4LMNA

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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