SCHEMBL1750216

SCHEMBL1750216

CCCOc1ccc2c(C)c(C(=O)NCc3ccc(-c4ccc(C[C@H](OCC)C(=O)O)cc4)s3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.49
PPARG P37231 14/20 0.49
PPARD Q03181 4/20 0.40
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 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 0.88 PPARG (0.42) PPARAPPARGPPARDPGRADORA3
SCHEMBL1750515 0.85 PPARG (0.42) PPARAPPARGPPARDPGRADORA3
SCHEMBL1749866 0.81 PPARG (0.41) PPARAPPARGPPARD
SCHEMBL1748985 0.78 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL1748986 0.78 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL5761338 0.69 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL1749506 0.68 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL1749507 0.68 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL4028946 0.66 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL1749503 0.65 PPARA (0.44) 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 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