Benzene

Benzene

SCHEMBL4409529

NNC(=O)CCNCCC(=O)NN.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
KDM5C P41229 1/20 0.54
PHF8 Q9UPP1 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
CTSD P07339 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL4421124 0.90 KDM4E (0.52) KDM4EKDM5CPHF8KDM2AL3MBTL1
Biphenyl SCHEMBL4413773 0.88 L3MBTL1 (0.55) KDM4EKDM5CPHF8KDM2AL3MBTL1
Diphenylmethane SCHEMBL4416804 0.84 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL960759 0.83 CTSD (0.65) KDM4EKDM5CPHF8KDM2AL3MBTL1
SCHEMBL27680410 0.81 CA12 (0.50) KDM4EKDM5CPHF8KDM2AL3MBTL1
Benzene SCHEMBL4411983 0.79 KDM4E (0.59) KDM4EKDM5CPHF8KDM2AL3MBTL1
SCHEMBL961374 0.78
SCHEMBL7783179 0.76
SCHEMBL1934843 0.75 KDM4E (0.54) KDM4EKDM5CPHF8KDM2AL3MBTL1
SCHEMBL4411483 0.75 HDAC3 (0.44) KDM4EL3MBTL1CYP1A2CYP3A4CYP2D6

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