SCHEMBL5763221

SCHEMBL5763221

CCCCCC(=O)N(C)CCc1cccc(-c2ccc(C[C@H](OCC)C(=O)O)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.47
PPARA Q07869 14/20 0.47
FFAR1 O14842 1/20 0.40
PPARD Q03181 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1750740 0.91 PPARG (0.48) PPARGPPARAFFAR1PPARD
SCHEMBL1749436 0.90 PPARG (0.48) PPARGPPARAFFAR1PPARD
SCHEMBL1749665 0.81 PPARA (0.41) PPARGPPARAPPARDNPC1NFKB1
SCHEMBL5760267 0.81 PPARG (0.47) PPARGPPARAFFAR1PPARD
SCHEMBL1749906 0.80 PPARA (0.40) PPARGPPARAPPARDNPC1NFKB1
SCHEMBL5761436 0.80 PPARG (0.46) PPARGPPARAFFAR1PPARD
SCHEMBL5567583 0.78 AOC3 (0.47) PPARGPPARAPPARD
SCHEMBL6184829 0.78 AOC3 (0.47) PPARGPPARAPPARD
SCHEMBL1750943 0.77 PPARA (0.42) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL1749462 0.76 PPARA (0.42) PPARGPPARAPPARDNPC1RAB9A

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 claimed
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 claimed