SCHEMBL2217322

SCHEMBL2217322

CCCCCC(=O)CNCc1cc(-c2ccc(C[C@H](OCC)C(=O)O)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PPARA Q07869 18/20 0.41
PPARG P37231 13/20 0.41
PPARD Q03181 9/20 0.41

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
SCHEMBL1750019 1.00 PTPRF (0.41) PTPRFPTPN2PTPN1PPARAPPARG
SCHEMBL1749562 0.93 PPARA (0.43) PTPRFPTPN2PTPN1PPARAPPARG
SCHEMBL5761770 0.91 PTPRF (0.36) PTPRFPTPN2PTPN1PPARAPPARG
SCHEMBL5760611 0.88 PPARA (0.40) PTPRFPTPN2PTPN1PPARAPPARG
SCHEMBL1749609 0.85 PTPRF (0.42) PTPRFPTPN2PTPN1PPARAPPARG
SCHEMBL1750606 0.85 HDAC1 (0.34) PPARAPPARGPPARD
SCHEMBL1750609 0.85 HDAC1 (0.34) PPARAPPARGPPARD
SCHEMBL2220220 0.84 MME (0.41)
SCHEMBL1750293 0.84 MME (0.41)
SCHEMBL1749931 0.83 PPARA (0.42) PTPRFPTPN2PTPN1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP claimed