SCHEMBL8652764

SCHEMBL8652764

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CCCC3(O)CCCO)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.50
▸ NR3C1 P04150 10/20 0.48
▸ AR P10275 8/20 0.48
▸ CYP3A4 P08684 3/20 0.46
▸ NR3C2 P08235 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL8767831 0.95 PGR (0.53) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL30107690 0.84 PGR (0.66) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8768805 0.83 PGR (0.55) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767796 0.82 PGR (0.55) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8652053 0.82 PGR (0.45) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8653263 0.82 PGR (0.45) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767943 0.81 PGR (0.51) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8767837 0.80 PGR (0.50) PGRNR3C1ARCYP3A4NR3C2
SCHEMBL8768021 0.80 PGR (0.53) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8536196 0.80 PGR (0.53) 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 3 patents. 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
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 disclosed
US-5519027-A PROGESTERONE ANTAGONIST FOR OXYTOCICS OR PREVENTION OF TERMINATION OF PREGNANCY SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-21 — — US disclosed
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