SCHEMBL7683198

SCHEMBL7683198

COc1ccc(CC(OC(C)C)C(=O)O)cc1CN/C(O)=C(/C)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.45
PPARD Q03181 8/20 0.45
PPARG P37231 8/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 1/20 0.40
MMP1 P03956 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39

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
SCHEMBL7683194 1.00 PPARA (0.45) PPARAPPARDPPARGMEN1ALDH1A1
SCHEMBL6060873 0.84 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060870 0.84 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6496306 0.83 ADRB2 (0.45) PPARAPPARDPPARGHTTMMP1
SCHEMBL6506017 0.82 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6504226 0.81 PPARA (0.44) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6504220 0.81 PPARA (0.44) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6504240 0.81 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6496012 0.80 PPARA (0.57) PPARAPPARDPPARG
SCHEMBL4341727 0.79 PTGDR2 (0.44) PPARAPPARDPPARGMMP1

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-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed