SCHEMBL8726203

SCHEMBL8726203

C=C(C([O])=O)[C@@]1(C(C)=O)CCC2C3CC(C)(C)C4=CC(=O)CC[C@@H]4C3CC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.48
▸ AR P10275 6/20 0.48
▸ NR3C2 P08235 2/20 0.46
▸ NR3C1 P04150 4/20 0.45
▸ ABCB11 O95342 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ TSHR P16473 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
SCHEMBL7885022 0.82 LMNA (0.58) PGRARNR3C1ABCB11CYP3A4
SCHEMBL7887205 0.79 PGR (0.61) PGRARNR3C2NR3C1ABCB11
SCHEMBL13013558 0.69 AR (0.73) PGRARNR3C2
SCHEMBL7886106 0.68 PGR (0.60) PGRARNR3C2NR3C1ABCB11
SCHEMBL13474765 0.68 PGR (0.66) PGRARNR3C2NR3C1ABCB11
Gestonorone SCHEMBL17831151 0.67 CYP3A4 (0.67) PGRARNR3C2NR3C1ABCB11
Gestonorone SCHEMBL17831152 0.67 CYP3A4 (0.67) PGRARNR3C2NR3C1ABCB11
Gestonorone SCHEMBL20488186 0.67 CYP3A4 (0.67) PGRARNR3C2NR3C1ABCB11
Gestonorone SCHEMBL19834940 0.67 CYP3A4 (0.67) PGRARNR3C2NR3C1ABCB11
Gestonorone SCHEMBL141624 0.67 CYP3A4 (0.67) PGRARNR3C2NR3C1ABCB11

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-0886645-A1 NEW 19-NOR-PREGNENE DERIVATIVES LABORATOIRE THERAMEX (MC) 1998-12-30 — — EP disclosed
WO-1997027210-A1 NEW 19-NOR-PREGNENE DERIVATIVES LABORATOIRE THERAMEX (MC) 1997-07-31 — — WO disclosed
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