SCHEMBL6160658

SCHEMBL6160658

CC(C)C[As](Cc1ccc(C(F)(F)F)cc1)C(=O)COc1cccc(CCOc2ccccc2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.43
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARD Q03181 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PTPN1 P18031 1/20 0.37
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
CFD P00746 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 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
SCHEMBL6160051 0.92 SIRT2 (0.44) SIRT2PPARAPARP1PPARDMRGPRX4
SCHEMBL6160660 0.91 ENPP2 (0.42) SIRT2PPARAPPARGALDH1A1PPARD
SCHEMBL6160055 0.83 SIRT2 (0.41) SIRT2PPARAPPARGALDH1A1PPARD
SCHEMBL6161238 0.81 SLC2A1 (0.44) SIRT2PPARAPPARGPARP1ALDH1A1
SCHEMBL3507026 0.73 SIRT2 (0.59) SIRT2PPARAPPARGALDH1A1PPARD
SCHEMBL3996205 0.72 PSMB5 (0.43) SIRT2PPARAALDH1A1PPARDENPP2
SCHEMBL6160652 0.71 ENPP2 (0.41) SIRT2PPARAPPARGALDH1A1PPARD
SCHEMBL6161235 0.71 ABCC8 (0.43) SIRT2PPARAPPARDENPP2
SCHEMBL3507509 0.69 SIRT2 (0.53) SIRT2PPARAPPARGALDH1A1PTGES
SCHEMBL4962776 0.69 TRPM8 (0.54) PPARAPPARGALDH1A1PPARDPTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517680-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA Astrazeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 WO disclosed