SCHEMBL4418967

SCHEMBL4418967

NNC(=O)CCOc1ccc(-c2ccc(C(=O)NN)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PLK1 P53350 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL4411549 0.95 CA1 (0.56) MMP3CA1CA2MAPTALDH1A1
SCHEMBL4412344 0.92 MMP3 (0.63) MMP3MMP1MMP2MMP9MMP13
SCHEMBL4072168 0.87 CA1 (0.54) CA1CA2MMP1MAPTALDH1A1
SCHEMBL4411547 0.87 MMP3 (0.54) MMP3MMP1MMP2MMP9MMP13
SCHEMBL4414363 0.85 GAA (0.51) MMP3MAPTCYP3A4
SCHEMBL18068446 0.83 CA1 (0.66) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL6375604 0.83 CA1 (0.62) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL7323928 0.83 RARB (0.63) CA1CA2MMP1PLK1HRH3
SCHEMBL6538458 0.83 PLK1 (0.69) CA1CA2MAPTALDH1A1MAPK1
SCHEMBL4412917 0.82 NPC1 (0.53) CA1CA2MAPTALDH1A1HDAC3

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