SCHEMBL11755727

SCHEMBL11755727

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.85
AR P10275 6/20 0.85
ADORA3 P0DMS8 2/20 0.85
CHRM1 P11229 1/20 0.85
ADRA1A P35348 1/20 0.85
CYP3A4 P08684 7/20 0.83
NR3C1 P04150 7/20 0.83
HIF1A Q16665 4/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
ALDH1A1 P00352 2/20 0.83
CYP1A2 P05177 1/20 0.83
NR1I2 O75469 2/20 0.65
NR3C2 P08235 2/20 0.65
ABCB11 O95342 2/20 0.65
MAPT P10636 2/20 0.65
RAB9A P51151 1/20 0.65
LMNA P02545 2/20 0.65
USP2 O75604 2/20 0.65
MLNR O43193 1/20 0.65
CYP3A5 P20815 1/20 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
SCHEMBL93664 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11875376 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11125210 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11600203 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11748063 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11600201 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL3164036 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
SCHEMBL11125211 0.92 NR3C1 (0.85) PGRARADORA3CHRM1ADRA1A
Halobetasol Propionate SCHEMBL17190306 0.92 PGR (1.00) PGRARADORA3CHRM1ADRA1A
Halobetasol Propionate SCHEMBL1650038 0.92 PGR (1.00) PGRARADORA3CHRM1ADRA1A

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-4021459-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy 20-keto-pregnenes SCHERING CORPORATION (US) 1977-05-03 US disclosed