SCHEMBL10907302

SCHEMBL10907302

CCC(=O)O[C@@]1(C(=O)CO)[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 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.86
AR P10275 4/20 0.86
ADORA3 P0DMS8 3/20 0.86
CHRM1 P11229 1/20 0.86
ADRA1A P35348 1/20 0.86
NR3C1 P04150 11/20 0.79
CYP3A4 P08684 7/20 0.79
NR1I2 O75469 3/20 0.79
NR3C2 P08235 1/20 0.79
HIF1A Q16665 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP1A2 P05177 1/20 0.72
ABCB11 O95342 2/20 0.72
MAPT P10636 2/20 0.72
RAB9A P51151 1/20 0.72
USP2 O75604 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 2/20 0.64

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
SCHEMBL13326217 1.00 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL8199253 1.00 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL8199259 1.00 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL20223509 0.95 PGR (0.89) PGRARADORA3CHRM1ADRA1A
SCHEMBL6859132 0.94 PGR (0.76) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121922 0.93 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11881537 0.93 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL5501195 0.93 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121923 0.93 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
Halobetasol Propionate SCHEMBL17190306 0.93 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-4619921-A Polyhalogeno-steroids CIBA-GEIGY CORPORATION (US) 1986-10-28 US disclosed