SCHEMBL9146687

SCHEMBL9146687

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.58
▸ NR3C1 P04150 14/20 0.56
▸ PGR P06401 10/20 0.56
▸ NR3C2 P08235 2/20 0.56
▸ ESR1 P03372 2/20 0.54
▸ ESR2 Q92731 2/20 0.54
▸ THRA P10827 1/20 0.54
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ THPO P40225 1/20 0.53

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
SCHEMBL9650258 0.94 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL15094157 0.94 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL3678661 0.94 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL10399827 0.94 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL4664713 0.94 AR (0.67) ARNR3C1PGRNR3C2ESR1
SCHEMBL9647584 0.92 AR (0.62) ARNR3C1PGRNR3C2ESR1
SCHEMBL14656547 0.91 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL14666086 0.91 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL20235298 0.91 AR (0.57) ARNR3C1PGRNR3C2ESR1
SCHEMBL9740103 0.91 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446036-A Contraceptive SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-29 — — US claimed
US-5089488-A Anticarcinogenic agents; treating glaucoma, hypertension, diabetes, insomia, osteoporosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US 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-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
Send feedback