SCHEMBL292887

SCHEMBL292887

CC(=NOCc1ccccc1)c1cccc(C(C)CC(O)(C(C)n2ccc(=O)c3ccccc32)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.39
PPARA Q07869 12/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
S1PR3 Q99500 2/20 0.32

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
SCHEMBL292884 0.82 NR3C1 (0.38) PPARGPPARANPC1RAB9ANR3C1
SCHEMBL292886 0.78 NR3C1 (0.45) PPARGPPARANR3C1PGRNR3C2
SCHEMBL6807534 0.76 CNR2 (0.37) NPC1RAB9A
SCHEMBL13754566 0.71 NR3C1 (0.66) PPARGPPARANR3C1PGRNR3C2
SCHEMBL675882 0.71 NR3C1 (0.66) PPARGPPARANR3C1PGRNR3C2
SCHEMBL447350 0.71 NR3C1 (0.66) PPARGPPARANR3C1PGRNR3C2
SCHEMBL8594784 0.63 NPC1 (0.50) PPARGPPARANPC1RAB9ALMNA
SCHEMBL8594782 0.63 NPC1 (0.50) PPARGPPARANPC1RAB9ALMNA
SCHEMBL292067 0.62 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL19733323 0.62 L3MBTL1 (0.71) PPARGPPARANPC1RAB9ALMNA

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-2049112-B1 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB (US) 2012-03-14 EP disclosed