SCHEMBL4411167

SCHEMBL4411167

NNC(=O)CCNc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SOAT1 P35610 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL30610435 0.80 QPCT (0.49) ALDH1A1HPGDKDM4ESOAT1L3MBTL1
SCHEMBL20522374 0.80 QPCT (0.49) ALDH1A1HPGDKDM4ESOAT1L3MBTL1
SCHEMBL4409648 0.78 L3MBTL1 (0.45) ALDH1A1HPGDKDM4EL3MBTL1HTT
SCHEMBL9926529 0.78 MAPT (0.58) ALDH1A1HPGDKDM4EL3MBTL1HTT
SCHEMBL1627561 0.76 L3MBTL1 (0.65) ALDH1A1KDM4EL3MBTL1HTTMAPT
Biphenyl SCHEMBL4413773 0.76 L3MBTL1 (0.55) ALDH1A1KDM4EL3MBTL1HTTMAPT
SCHEMBL11290637 0.76 CDC25A (0.52) ALDH1A1HPGDKDM4ESOAT1L3MBTL1
SCHEMBL27704232 0.76 KDM4E (0.50) ALDH1A1HPGDKDM4EL3MBTL1HTT
SCHEMBL12984545 0.74 SMN1; SMN2 (0.49) ALDH1A1HPGDKDM4ESOAT1L3MBTL1
SCHEMBL11595858 0.74 ALDH1A1 (0.52) ALDH1A1HTTMAPTNPSR1MEN1

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
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