SCHEMBL8650538

SCHEMBL8650538

COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC=CC3(C)O)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.50
▸ NR3C1 P04150 11/20 0.50
▸ AR P10275 9/20 0.50
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ NR3C2 P08235 1/20 0.38
▸ MCL1 Q07820 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
SCHEMBL8651981 0.88 NR3C1 (0.50) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8651021 0.86 PGR (0.48) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8767749 0.85 NR3C1 (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8407081 0.79 CYP19A1 (0.56) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8651931 0.79 NR3C1 (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8653388 0.78 NR3C1 (0.61) PGRNR3C1ARCYP3A4
SCHEMBL8650867 0.77 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8427242 0.77 PGR (0.81) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8426848 0.77 PGR (0.65) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8425095 0.77 PGR (0.65) 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 4 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
US-5519027-A PROGESTERONE ANTAGONIST FOR OXYTOCICS OR PREVENTION OF TERMINATION OF PREGNANCY SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-21 — — US 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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