SCHEMBL8118397

SCHEMBL8118397

COc1ccc(CC(C=O)(NNC(=O)c2ccccc2)NC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
GAA P10253 4/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL7971344 0.88 ALDH1A1 (0.54) PTGS2GAAPLAUELANENPC1
SCHEMBL4927732 0.72 GAA (0.75) PTGS2GAAPLAUELANENPC1
SCHEMBL3938137 0.71 GAA (0.55) PTGS2GAAPLAUELANENPC1
SCHEMBL3938131 0.71 GAA (0.55) PTGS2GAAPLAUELANENPC1
SCHEMBL14038095 0.70 PLAU (0.54) PTGS2GAAPLAUELANENPC1
SCHEMBL10972445 0.70 GAA (0.48) PTGS2GAAPLAUELANENPC1
SCHEMBL9110617 0.70 HDAC3 (0.59) PTGS2GAAPLAUELANENPC1
SCHEMBL2526264 0.69 NPC1 (0.83) GAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10972447 0.68 GAA (0.49) PTGS2GAAPLAUELANENPC1
SCHEMBL3939301 0.67 CES2 (0.53) GAANPC1RAB9AALDH1A1SMN1; SMN2

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-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed