SCHEMBL4670875

SCHEMBL4670875

CCCC1CCN(C(=O)OCc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GRIN2B Q13224 2/20 0.46
HTT P42858 1/20 0.44
OPRM1 P35372 1/20 0.44
ACHE P22303 1/20 0.44
GPR174 Q9BXC1 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1507804 0.91 HTT (0.46) KDM4EGRIN2BHTTOPRM1ACHE
SCHEMBL15740077 0.87 OPRM1 (0.43) KDM4EGRIN2BHTTOPRM1ACHE
SCHEMBL18022330 0.86 ACHE (0.60) THRBKDM4EGRIN2BHTTOPRM1
SCHEMBL31413527 0.85 OPRM1 (0.47) KDM4EGRIN2BHTTOPRM1ACHE
SCHEMBL14803212 0.85 OPRM1 (0.47) KDM4EGRIN2BHTTOPRM1ACHE
SCHEMBL1056588 0.84 KDM4E (0.55) KDM4EHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL14803207 0.83 SMN1; SMN2 (0.63) KDM4EHTTOPRM1ACHEALDH1A1
SCHEMBL10508064 0.82 KDM4E (0.50) KDM4EHTTOPRM1KMT2AALDH1A1
SCHEMBL729505 0.82 KDM4E (0.50) KDM4EHTTGPR174KMT2AALDH1A1
SCHEMBL11964034 0.81 KDM4E (0.45) KDM4EGRIN2BOPRM1ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003502-A1 Inkless printing paper and method Xerox Corporation (US) 2008-12-17 EP disclosed