SCHEMBL6160652

SCHEMBL6160652

CC(C)CC([AsH]C(=O)COc1ccc(CCOc2ccccc2C(=O)O)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
PPARG P37231 2/20 0.38
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PSMB5 P28074 2/20 0.36
ABCB1 P08183 2/20 0.36
FFAR1 O14842 3/20 0.36
PSEN1 P49768 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL6160047 0.92 SIRT2 (0.39) PPARAPPARDALDH1A1SIRT2PPARG
SCHEMBL6161235 0.83 ABCC8 (0.43) ENPP2PPARAPPARDSIRT2PSMB5
SCHEMBL6160660 0.78 ENPP2 (0.42) ENPP2PPARAPPARDALDH1A1SIRT2
SCHEMBL3996205 0.78 PSMB5 (0.43) ENPP2PPARAPPARDALDH1A1SIRT2
SCHEMBL4962776 0.74 TRPM8 (0.54) PPARAPPARDALDH1A1PPARGPTGES
SCHEMBL6160658 0.71 SIRT2 (0.43) ENPP2PPARAPPARDALDH1A1SIRT2
SCHEMBL6160055 0.70 SIRT2 (0.41) ENPP2PPARAPPARDALDH1A1SIRT2
SCHEMBL6161238 0.70 SLC2A1 (0.44) PPARAPPARDALDH1A1SIRT2PPARG
SCHEMBL3996571 0.69 PSMB5 (0.43) PPARAPPARDSIRT2PSMB5ABCB1
SCHEMBL2448991 0.68 ALDH1A1 (0.59) ALDH1A1ABCB1FFAR1

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