SCHEMBL8550181

SCHEMBL8550181

Cc1ccccc1C[C@@H](O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CTBP2 P56545 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 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
SCHEMBL2029955 0.81 DPP4 (0.56) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL975049 0.81 DPP4 (0.56) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL7299030 0.81 CPA1 (0.61) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL975050 0.81 DPP4 (0.56) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL11836998 0.81 PPARG (0.48) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL29478407 0.81 DPP4 (0.56) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL29478392 0.81 DPP4 (0.56) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL4879473 0.79 PPARG (0.43) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL4879468 0.79 PPARG (0.43) PPARGPPARAFFAR1HPGDALDH1A1
SCHEMBL4884341 0.79 PPARG (0.43) PPARGPPARAFFAR1HPGDALDH1A1

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-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed