SCHEMBL8973527

SCHEMBL8973527

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.65
▸ PGR P06401 6/20 0.65
▸ CYP3A4 P08684 4/20 0.65
▸ OPRK1 P41145 2/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ PDE3A Q14432 1/20 0.65
▸ AR P10275 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CHRM1 P11229 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2C19 P33261 3/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL11795827 1.00 NR3C1 (0.65) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL5596318 1.00 NR3C1 (0.65) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL9171213 1.00 NR3C1 (0.65) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL6061364 1.00 NR3C1 (0.65) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL3928985 0.85 CYP3A4 (0.52) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL11647954 0.84 CYP3A4 (0.52) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL11798281 0.83 NR3C1 (0.67) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL9168274 0.83 NR3C1 (0.67) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL10860460 0.83 NR3C1 (0.67) NR3C1PGRCYP3A4OPRK1DRD1
SCHEMBL28050398 0.83 NR3C1 (0.67) NR3C1PGRCYP3A4OPRK1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701445-A1 AGENTS CONTAINING A COMPOUND WITH AN ANTI-ANDROGEN EFFECT AND A COMPOUND WITH A COMPETITIVE, PROGESTERONE-ANTAGONISTIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1996-03-20 — — EP disclosed
WO-1994027610-A1 AGENTS CONTAINING A COMPOUND WITH AN ANTI-ANDROGEN EFFECT AND A COMPOUND WITH A COMPETITIVE, PROGESTERONE-ANTAGONISTIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1994-12-08 — — WO disclosed
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