SCHEMBL5793098

SCHEMBL5793098

CC(C)(Oc1ccccc1CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARG P37231 5/20 0.44
MGLL Q99685 1/20 0.42
PPARA Q07869 3/20 0.41
PPARD Q03181 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 3/20 0.39
PAM P19021 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL6080937 0.87 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1PPARGPPARA
SCHEMBL5795204 0.81 KDM4E (0.55) ALDH1A1L3MBTL1KDM4EHSD17B10PPARG
SCHEMBL8324677 0.80 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPK1KDM4EKMT2A
SCHEMBL11566628 0.80 KDM4E (0.54) ALDH1A1L3MBTL1KDM4EHSD17B10PPARG
SCHEMBL5793096 0.80 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPK1PPARGPPARA
SCHEMBL5795000 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1PPARGPPARA
SCHEMBL1009536 0.79 KDM4E (0.53) ALDH1A1L3MBTL1KDM4EHSD17B10PPARG
SCHEMBL29224676 0.78 KDM4E (0.58) ALDH1A1L3MBTL1KDM4EHSD17B10PPARG
SCHEMBL5795465 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1PPARGPPARA
SCHEMBL23241654 0.77 TBXAS1 (0.44) ALDH1A1L3MBTL1KDM4EHSD17B10

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
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 WO disclosed