SCHEMBL13433348

SCHEMBL13433348

CCOC(=O)/C(=C/c1cccc(-c2ccc(OC)c(CNC(=O)OC(C)(C)C)c2)c1)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MEN1 O00255 1/20 0.35
PLIN1 O60240 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3410598 0.91 PSEN1 (0.45) EPHX2PPARGPPARDPPARATRPV1
SCHEMBL3410602 0.91 PSEN1 (0.45) EPHX2PPARGPPARDPPARATRPV1
SCHEMBL13433343 0.84 FDPS (0.47) PPARGPPARDPPARATRPV1ALDH1A1
SCHEMBL3413605 0.83 PPARG (0.45) PPARGPPARDPPARATRPV1ALDH1A1
SCHEMBL13433354 0.81 SYK (0.45) EPHX2PPARGPPARDPPARATRPV1
SCHEMBL3413325 0.79 PDCD1 (0.45) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3413329 0.79 PDCD1 (0.45) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3418629 0.76 PPARA (0.45) PPARGPPARDPPARATRPV1HTT
SCHEMBL3416346 0.76 PPARG (0.53) PPARGPPARDPPARATRPV1ALDH1A1
SCHEMBL3415307 0.76 PPARD (0.63) EPHX2PPARGPPARDPPARAALDH1A1

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed