SCHEMBL8769794

SCHEMBL8769794

C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2[C@@H]2C[C@@H]2[C@]3(OC(C)=O)C(C)=O)[C@H]2CCC(=O)C=C12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.48
▸ AR P10275 9/20 0.48
▸ NR3C1 P04150 3/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ CYP3A4 P08684 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ ABCB11 O95342 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP19A1 P11511 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8769771 0.83 PGR (0.59) PGRARNR3C1CYP3A4MAPT
SCHEMBL8769023 0.81 PGR (0.67) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769115 0.81 PGR (0.52) PGRARNR3C1PDE4DCYP3A4
SCHEMBL8769113 0.81 PGR (0.48) PGRARNR3C1PDE4DCYP3A4
SCHEMBL20266962 0.80 PGR (0.67) PGRARNR3C1PDE4DCYP3A4
SCHEMBL10952461 0.80 PGR (0.67) PGRARNR3C1PDE4DCYP3A4
SCHEMBL12904792 0.77 AR (0.45) PGRARCYP3A4CYP2C19CYP19A1
SCHEMBL12942811 0.77 PGR (0.50) PGRARNR3C1PDE4DCHRM2
SCHEMBL3762688 0.77 PGR (0.40) PGRARNR3C1PDE4DCYP3A4
SCHEMBL924267 0.77 PGR (0.40) PGRARNR3C1PDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785211-A1 New substituted 19-nor-pregnane derivatives LABORATOIRE THERAMEX (MC) 1997-07-23 — — EP disclosed
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