SCHEMBL4334795

SCHEMBL4334795

CC(C)OC(Cc1cccc(OCC(O)COc2ccc(Br)cc2F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.40
PPARA Q07869 8/20 0.40
PPARD Q03181 6/20 0.40
AAK1 Q2M2I8 2/20 0.39
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4333095 0.93 PPARG (0.40) PPARGPPARAPPARDAAK1FFAR1
SCHEMBL4335146 0.89 PPARA (0.54) PPARGPPARAPPARDFFAR1
SCHEMBL4333447 0.89 PPARA (0.54) PPARGPPARAPPARDFFAR1
SCHEMBL4333444 0.89 PPARA (0.54) PPARGPPARAPPARDFFAR1
SCHEMBL6652728 0.87 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL4334110 0.87 PPARG (0.49) PPARGPPARAPPARDKDM4E
SCHEMBL4334214 0.87 PPARG (0.49) PPARGPPARAPPARDKDM4E
SCHEMBL4334218 0.87 PPARG (0.49) PPARGPPARAPPARDKDM4E
SCHEMBL4340686 0.86 AAK1 (0.42) PPARGPPARAPPARDAAK1KDM4E
SCHEMBL4328595 0.84 PPARG (0.46) PPARGPPARAPPARD

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 3 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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed