SCHEMBL4752344

SCHEMBL4752344

CC(=O)Oc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.55
PPARD Q03181 6/20 0.55
PPARG P37231 5/20 0.55
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CTSA P10619 1/20 0.33
TP53 P04637 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL4754218 0.94 PPARA (0.49) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4755223 0.91 PPARA (0.53) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL6885086 0.91 PPARA (0.53) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL12732396 0.90 PPARG (0.57) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL2466112 0.90 PPARA (0.54) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL2466110 0.90 PPARA (0.54) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL2464485 0.89 PPARG (0.51) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL24658335 0.88 PPARA (0.55) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL1765936 0.88 PPARD (0.68) PPARAPPARDPPARGMAPTTSHR
SCHEMBL30003540 0.88 PPARA (0.55) PPARAPPARDPPARGMAPTSMN1; 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
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed