SCHEMBL4756835

SCHEMBL4756835

COc1ccc(-c2nc(CCC(=O)O)c(=O)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
NOX1 Q9Y5S8 1/20 0.48
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
SMPD3 Q9NY59 1/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL9201256 0.77 MAPT (0.49) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10921523 0.76 MAPT (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11073588 0.74 MAPT (0.54) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL5267660 0.73 MAPT (0.62) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL9347725 0.73 CYP1A2 (0.56) CYP1A2CYP2C19MAPK14
SCHEMBL11283662 0.70 NOX1 (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10989656 0.70 NOX1 (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL5365533 0.69 GAA (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10799922 0.69 MAPT (0.54) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11072287 0.69 NOX1 (0.52) MAPTGAAALDH1A1MEN1KMT2A

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
JP-2008110921-A ADVANCED GLYCATION END PRODUCT FORMATION INHIBITOR COMPRISING PYRAZINE DERIVATIVE AS ACTIVE INGREDIENT KOWA CO 2008-05-15 JP disclosed