SCHEMBL5761764

SCHEMBL5761764

CCCCCC(=O)N(C)Cc1cc(-c2ccc(C[C@H](OCC)C(=O)O)cc2)cs1.NCCc1cc(Br)cs1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.37
PPARG P37231 13/20 0.37
PPARD Q03181 10/20 0.37
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL1749610 0.91 PPARA (0.42) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1750047 0.90 PPARA (0.42) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1750048 0.90 PPARA (0.42) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1750450 0.88 PPARA (0.43) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1750452 0.88 PPARA (0.43) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL5761770 0.86 PTPRF (0.36) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL5762926 0.86 PPARA (0.40) PPARAPPARGPPARDPTPRFPTPN2
SCHEMBL1749558 0.84 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL1749560 0.84 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL1749874 0.82 HDAC1 (0.37) PTPRFPTPN2PTPN1

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