SCHEMBL5759909

SCHEMBL5759909

CCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(OCC)C(=O)O)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.45
PPARG P37231 17/20 0.45
PPARD Q03181 6/20 0.42

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
SCHEMBL1749842 1.00 PPARA (0.45) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL1749764 0.99 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL1031990 0.99 PPARA (0.44) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL5824176 0.99 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL1292917 0.99 PPARA (0.44) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL1749666 0.98 PPARA (0.43) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL1750475 0.98 PPARA (0.43) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL1749664 0.98 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL5762618 0.97 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL1750379 0.97 PPARA (0.47) 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