SCHEMBL4411547

SCHEMBL4411547

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4412300 0.94 MMP3 (0.50) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4412344 0.94 MMP3 (0.63) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4419519 0.91 LTA4H (0.50) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4414363 0.91 GAA (0.51) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4411549 0.91 CA1 (0.56) MMP3CYP3A4ALDH1A1NPC1MAPT
SCHEMBL19043180 0.91 MAPT (0.61) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6761507 0.91 ALDH1A1 (0.51) MMP3ALDH1A1RAB9AMAPTMEN1
SCHEMBL4412374 0.90 CYP1A2 (0.67) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4413835 0.89 SMN1; SMN2 (0.48) MMP3CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7190843 0.89 CYP1A2 (0.65) MMP3CYP1A2CYP3A4CYP2C9CYP2C19

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