SCHEMBL4620529

SCHEMBL4620529

COCC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 4/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
SHMT2 P34897 1/20 0.50
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
KAT8 Q9H7Z6 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4622034 0.87 GAA (0.53) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL8633892 0.85 SHMT2 (0.70) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL17034742 0.84 SHMT2 (0.69) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL6947831 0.82 SHMT2 (0.58) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL13597563 0.82 GAA (0.56) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL6953402 0.80 GAA (0.60) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL4619249 0.78 SHMT2 (0.54) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL13597571 0.78 POLB (0.76) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL5462191 0.77 MAPT (0.54) GAAALDH1A1L3MBTL1POLBMEN1
SCHEMBL643536 0.77 POLB (0.75) GAAALDH1A1L3MBTL1POLBMEN1

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-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed