SCHEMBL4411549

SCHEMBL4411549

NNC(=O)CCOc1ccc(C(=O)NN)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
PLK1 P53350 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MPO P05164 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDM5A P29375 1/20 0.48
BLM P54132 1/20 0.48
GFER P55789 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPC1 O15118 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL4418967 0.95 MMP3 (0.55) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL4072168 0.92 CA1 (0.54) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL4411547 0.91 MMP3 (0.54) MAPTALDH1A1CYP3A4NPC1MMP3
SCHEMBL4414363 0.90 GAA (0.51) MAPTCYP3A4MMP3
SCHEMBL18068446 0.87 CA1 (0.66) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL4412917 0.86 NPC1 (0.53) CA1CA2MAPTALDH1A1NPC1
SCHEMBL4412300 0.86 MMP3 (0.50) MAPTALDH1A1CYP3A4NPC1MMP3
SCHEMBL4412344 0.86 MMP3 (0.63) MAPTALDH1A1CYP3A4NPC1MMP3
SCHEMBL19043180 0.83 MAPT (0.61) CA1CA2MAPTALDH1A1HTT
SCHEMBL6761507 0.83 ALDH1A1 (0.51) MAPTALDH1A1HTTMMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed