SCHEMBL4335079

SCHEMBL4335079

CC(C)O[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](OS(C)(=O)=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
FFAR1 O14842 2/20 0.37
NAAA Q02083 2/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GHSR Q92847 4/20 0.35
IDH1 O75874 4/20 0.35
PTGES O14684 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL6655503 1.00 PPARA (0.39) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL4335077 1.00 PPARA (0.39) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL4335081 1.00 PPARA (0.39) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL6651124 0.88 PPARA (0.41) PPARAIDH1FAAH
SCHEMBL6651126 0.88 PPARA (0.41) PPARAIDH1FAAH
SCHEMBL6651130 0.88 PPARA (0.41) PPARAIDH1FAAH
SCHEMBL4340218 0.87 PPARA (0.42) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL6724598 0.87 PPARA (0.42) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL4340220 0.87 PPARA (0.42) PPARAFFAR1NAAAALOX5KMT2A
SCHEMBL2863250 0.87 PPARA (0.42) PPARAFFAR1NAAAALOX5KMT2A

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed