SCHEMBL13819475

SCHEMBL13819475

CC(C)OC(Cc1cccc(COc2ccc(C(F)(F)F)cc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.59
PPARA Q07869 12/20 0.59
PPARG P37231 11/20 0.59
PPARD Q03181 7/20 0.59
NR4A2 P43354 1/20 0.53
MAOB P27338 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.50

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
SCHEMBL13819764 0.90 MAOB (0.57) MRGPRX4PPARAPPARGPPARDNR4A2
SCHEMBL13819766 0.90 PPARA (0.58) MRGPRX4PPARAPPARGPPARDNR4A2
SCHEMBL13819762 0.88 NR4A2 (0.60) MRGPRX4PPARAPPARGPPARDNR4A2
SCHEMBL4338925 0.88 PPARG (0.55) MRGPRX4PPARAPPARGPPARD
SCHEMBL4346891 0.85 PPARG (0.51) MRGPRX4PPARAPPARGPPARD
SCHEMBL13819711 0.85 PPARG (0.57) PPARAPPARGPPARDFFAR1FFAR4
SCHEMBL13810005 0.83 PPARA (0.49) MRGPRX4PPARAPPARGPPARD
SCHEMBL4335055 0.83 SMN1; SMN2 (0.52) PPARAPPARGPPARDMAPTHTT
SCHEMBL4328261 0.82 MGLL (0.53) PPARAPPARGPPARDL3MBTL1
SCHEMBL13819487 0.81 PPARG (0.51) PPARAPPARGPPARD

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