SCHEMBL11512932

SCHEMBL11512932

CC(=O)[C@@]1(OC(=O)C(C)Cl)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.81
CYP3A4 P08684 7/20 0.81
NR3C1 P04150 7/20 0.81
PGR P06401 7/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
NPSR1 Q6W5P4 4/20 0.81
MAPK1 P28482 3/20 0.81
HIF1A Q16665 3/20 0.81
ALDH1A1 P00352 3/20 0.81
CHRM2 P08172 3/20 0.81
CHRM1 P11229 3/20 0.81
USP2 O75604 2/20 0.81
ADORA3 P0DMS8 2/20 0.81
THRB P10828 1/20 0.81
TBXA2R P21731 1/20 0.81
CYP2C19 P33261 1/20 0.81
ADRA1A P35348 1/20 0.81
LMNA P02545 6/20 0.65
CYP2C9 P11712 3/20 0.65
MEN1 O00255 3/20 0.65

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
Chlormadinone Acetate SCHEMBL11795531 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1460594 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL40360 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL15046 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL4948575 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1460593 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL29430402 0.89 AR (1.00) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL23908022 0.89 AR (0.98) ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1250000 0.84 AR (0.82) ARCYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11513275 0.84 CYP3A4 (0.78) ARCYP3A4NR3C1PGRSMN1; SMN2

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
US-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 US disclosed