SCHEMBL4340218

SCHEMBL4340218

CC(C)O[C@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
NAAA Q02083 2/20 0.40
FFAR1 O14842 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
IDH1 O75874 4/20 0.38
GHSR Q92847 1/20 0.37
MAOB P27338 1/20 0.36
IL6ST P40189 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL4340231 1.00 PPARA (0.42) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL6724598 1.00 PPARA (0.42) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL4340220 1.00 PPARA (0.42) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL2863250 1.00 PPARA (0.42) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL4335077 0.87 PPARA (0.39) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL6655503 0.87 PPARA (0.39) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL4335079 0.87 PPARA (0.39) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL2872747 0.87 PPARA (0.39) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL4335081 0.87 PPARA (0.39) PPARANAAAFFAR1KMT2AALOX5
SCHEMBL4327346 0.84 PPARA (0.42) PPARANAAAKMT2ASMN1; SMN2MEN1

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed