SCHEMBL6217844

SCHEMBL6217844

O=C(O)C1CCCCN1C(=O)/C=C/c1cc[c]c([N+](=O)[O-])c1-c1ccc2c(c1)CCOO2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6218162 0.90 ALDH1A1 (0.37) MAPK1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL6216922 0.88 ENPP2 (0.34) MAPK1KMT2AL3MBTL1FABP4
SCHEMBL6217553 0.86 ENPP2 (0.34) KMT2A
SCHEMBL6220677 0.85 POLB (0.40) L3MBTL1FABP4ALDH1A1LMNAHTT
SCHEMBL6199129 0.84 MAPK1 (0.37) MAPK1KMT2AL3MBTL1FABP4ALDH1A1
SCHEMBL6219884 0.81 ITGAL (0.40) KMT2A
SCHEMBL6262430 0.81 POLB (0.35) L3MBTL1ALDH1A1LMNAHTT
SCHEMBL6265119 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6197609 0.79 ITGAL (0.40) KMT2AFABP4ALDH1A1
SCHEMBL6218779 0.78 NPC1 (0.45) KMT2AALDH1A1HTT

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-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed