SCHEMBL6653700

SCHEMBL6653700

CC(C)OC(Cc1cccc(OC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 9/20 0.48
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 4/20 0.44
MGLL Q99685 1/20 0.41
MTOR P42345 1/20 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
SCHEMBL4334868 0.89 IDH1 (0.42) PPARAPPARGFPR2ALDH1A1MEN1
SCHEMBL4328261 0.86 MGLL (0.53) PPARAPPARGFPR2MEN1KMT2A
SCHEMBL4341815 0.84 FPR2 (0.45) PPARAPPARGFPR2PPARDMGLL
SCHEMBL4338925 0.81 PPARG (0.55) PPARAPPARGALDH1A1PPARD
SCHEMBL13819764 0.81 MAOB (0.57) PPARAPPARGPPARD
SCHEMBL4334192 0.81 MGLL (0.60) PPARAPPARGPPARDMGLL
SCHEMBL4347142 0.79 MEN1 (0.52) PPARAPPARGFPR2MEN1KMT2A
SCHEMBL4334181 0.79 MEN1 (0.52) PPARAPPARGFPR2MEN1KMT2A
SCHEMBL4346891 0.79 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL4335055 0.78 SMN1; SMN2 (0.52) PPARAPPARGLMNAPPARD

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-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed