SCHEMBL9650258

SCHEMBL9650258

C=C(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\CCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.57
▸ NR3C1 P04150 15/20 0.56
▸ PGR P06401 13/20 0.56
▸ NR3C2 P08235 1/20 0.56
▸ ESR1 P03372 1/20 0.52
▸ THRA P10827 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9146687 0.94 AR (0.58) ARNR3C1PGRNR3C2ESR1
SCHEMBL9647584 0.90 AR (0.62) ARNR3C1PGRNR3C2ESR1
SCHEMBL10590611 0.89 PGR (0.71) ARNR3C1PGRNR3C2ESR1
SCHEMBL4664713 0.87 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL10399827 0.87 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL3678661 0.87 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL15094157 0.87 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL14656547 0.84 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL20235298 0.84 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL14666086 0.84 AR (0.57) ARNR3C1PGRNR3C2ESR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089488-A Anticarcinogenic agents; treating glaucoma, hypertension, diabetes, insomia, osteoporosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US claimed
EP-0254670-B1 11-BETA-(4-ISOPROPENYLPHENYL)-ESTRA-4,9-DIENE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-15 — — EP claimed
EP-0254670-A1 11-beta-(4-isopropenylphenyl)-estra-4,9-diene, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1988-01-27 — — EP claimed
US-5089488-A Anticarcinogenic agents; treating glaucoma, hypertension, diabetes, insomia, osteoporosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4814327-A ANTIPROGESTERONE, ANTIGLUCOCORTICORD SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-21 — — US disclosed
EP-0254670-A1 11-beta-(4-isopropenylphenyl)-estra-4,9-diene, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1988-01-27 — — EP disclosed
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