SCHEMBL8105002

SCHEMBL8105002

Cc1cc(OCC(N)=O)c(C)c(C)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
HTT P42858 3/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.46
FFAR4 Q5NUL3 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGER1 P34995 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL5957736 0.89 PTPN1 (0.52) PTPN1FFAR4LMNAHPGDPTGER1
SCHEMBL1539870 0.84 MAPT (0.59) PTPN1HTTGAAFFAR4LMNA
SCHEMBL8105424 0.79 MAPK1 (0.46) PTPN1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL5958152 0.77 PTPN1 (0.52) PTPN1FFAR4LMNAHPGDCYP2C9
SCHEMBL12379065 0.77 PTGER1 (0.53) PTPN1FFAR4LMNAHPGDCYP2C9
SCHEMBL1539863 0.77 PTPN1 (0.54) PTPN1FFAR4LMNAHPGDCYP2C9
SCHEMBL9702017 0.76 PPARA (0.55) PTPN1FFAR4CYP2C9SMN1; SMN2TDP1
SCHEMBL16075023 0.76 MAPT (0.54) PTPN1HTTFFAR4LMNAHPGD
SCHEMBL5957872 0.75 LMNA (0.51) PTPN1GAAFFAR4LMNAHPGD
SCHEMBL12379069 0.75 GLRA1 (0.52) PTPN1KDM4EFFAR4LMNAHPGD

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-1027335-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS Cerebrus Pharmaceuticals Limited (GB) 2000-08-16 EP disclosed
WO-1999023075-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-05-14 WO disclosed