SCHEMBL5804571

SCHEMBL5804571

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(OCC)C(=O)O)cn2)c1.OCc1ccc(I)nc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.37
PPARG P37231 15/20 0.37
PPARD Q03181 3/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
KIFC1 Q9BW19 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 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
SCHEMBL1749462 0.93 PPARA (0.42) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL1750232 0.93 PPARA (0.42) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL1750943 0.92 PPARA (0.42) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL1749698 0.86 NPC1 (0.38) PPARAPPARGNPC1ALDH1A1RAB9A
SCHEMBL1750052 0.85 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL1750054 0.85 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL1749615 0.85 NPC1 (0.37) PPARAPPARGNPC1ALDH1A1RAB9A
SCHEMBL2221312 0.85 PTGS2 (0.37) NPC1ALDH1A1RAB9ALTB4R2KIFC1
SCHEMBL1750188 0.84 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL1750190 0.84 PPARG (0.45) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed