SCHEMBL5034528

SCHEMBL5034528

CN(Cc1ccc(CCO)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
PPARA Q07869 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
MTOR P42345 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
SCHEMBL1935803 0.83 RAB9A (0.52) KMT2APPARARAB9ANPC1CA12
SCHEMBL26087008 0.81 ALDH1A1 (0.56) KMT2ARAB9ANPC1CA12CA9
SCHEMBL29164022 0.81 ALDH1A1 (0.60) KMT2ARAB9ANPC1CA12CA9
SCHEMBL11209189 0.79 RAB9A (0.52) KMT2ARAB9ANPC1CA12CA9
SCHEMBL16619604 0.79 LMNA (0.39) KMT2APPARARAB9ANPC1CA12
SCHEMBL23343731 0.79 HRH3 (0.58) CA12CA9CYP4F2CYP4A11TDP1
SCHEMBL180384 0.79 NPC1 (0.73) KMT2ARAB9ANPC1CA12CA9
SCHEMBL16246248 0.78 CYP4F2 (0.46) KMT2APPARACA12CA9CYP4F2
SCHEMBL13093377 0.78 CYP4F2 (0.58) KMT2APPARARAB9ANPC1CA12
SCHEMBL1109788 0.78 PPARA (0.49) KMT2APPARARAB9ANPC1CYP4F2

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
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed