SCHEMBL9811566

SCHEMBL9811566

C#C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)COC)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.52
▸ NR3C1 P04150 8/20 0.52
▸ CYP3A4 P08684 6/20 0.52
▸ ABCB11 O95342 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ SLC6A4 P31645 3/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ SHBG P04278 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ AR P10275 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47

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
SCHEMBL7949838 0.84 NR3C1 (0.69) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL10495847 0.82 NR3C1 (0.57) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL9811453 0.81 PGR (0.49) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL9811376 0.80 PGR (0.45) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL9019768 0.79 PGR (0.68) PGRNR3C1CYP3A4AR
SCHEMBL8768805 0.79 PGR (0.55) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7864495 0.79 PGR (0.47) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL6140132 0.75 PGR (0.50) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL9811526 0.75 LMNA (0.30) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL8541047 0.75 PGR (0.48) PGRNR3C1CYP3A4ABCB11LMNA

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-0277089-B1 11-BETA-ALKYNYL ESTRENES AND ESTRADIENES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-12 — — EP disclosed
US-4870069-A POST-COITAL FERTILITY CONTROL SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 — — US disclosed
EP-0277089-A1 11-Beta-alkynyl estrenes and estradienes, their preparations and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 — — EP disclosed
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