SCHEMBL1749866

SCHEMBL1749866

CCCOc1ccc2c(C)c(C(=O)NCc3cccc(-c4ccc(C[C@H](OCC)C(=O)O)cn4)c3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.41
PPARA Q07869 14/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 5/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1750350 0.82 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL1750216 0.81 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL1750515 0.79 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL5760058 0.77 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL1749867 0.77 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL5760267 0.70 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL5761436 0.70 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5761085 0.69 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL1750344 0.69 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL6150506 0.68 PPARA (0.57) PPARGPPARALMNAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US claimed
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
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