SCHEMBL7595110

SCHEMBL7595110

CCOC(=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 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.72
PGR P06401 7/20 0.72
CYP3A4 P08684 7/20 0.72
AR P10275 6/20 0.72
HIF1A Q16665 5/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP1A2 P05177 1/20 0.72
ADORA3 P0DMS8 2/20 0.71
CHRM1 P11229 1/20 0.71
ADRA1A P35348 1/20 0.71
MAPT P10636 2/20 0.70
ABCB11 O95342 1/20 0.70
RAB9A P51151 1/20 0.70
NR1I2 O75469 1/20 0.65
NR3C2 P08235 1/20 0.65
MMP1 P03956 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL11286638 0.94 NR3C1 (0.70) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11424936 0.93 NR3C1 (0.79) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11286219 0.92 NR3C1 (0.68) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL7209349 0.92 NR3C1 (0.69) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11289697 0.92 NR3C1 (0.72) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11438871 0.92 NR3C1 (0.68) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11423833 0.92 NR3C1 (0.87) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL4219065 0.91 NR3C1 (0.69) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL4219068 0.91 NR3C1 (0.69) NR3C1PGRCYP3A4ARHIF1A
SCHEMBL11429154 0.91 NR3C1 (0.75) NR3C1PGRCYP3A4ARHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640616-B1 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AG (DE) 2002-11-27 EP disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
US-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed