SCHEMBL6913718

SCHEMBL6913718

O=C(/C=C/c1cc[c]c(Cl)c1Cl)NCCCN1CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.56
ICAM1 P05362 7/20 0.56
ITGAL P20701 7/20 0.56
RAB9A P51151 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6220880 0.84 ITGB2 (0.53) ITGB2ICAM1ITGALRAB9ARXFP1
SCHEMBL6220488 0.81 ITGB2 (0.49) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL7064969 0.81 ITGB2 (0.49) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6220318 0.80 ITGB2 (0.47) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6913722 0.79 RAB9A (0.50) RAB9ARXFP1KMT2AMEN1CYP1A2
SCHEMBL13879633 0.76 ITGB2 (0.59) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6139462 0.76 ITGB2 (0.56) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6139465 0.76 ITGB2 (0.56) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL6219676 0.75 ITGB2 (0.48) ITGB2ICAM1ITGALRAB9ARXFP1
SCHEMBL6217665 0.75 ITGB2 (0.48) ITGB2ICAM1ITGALRAB9AKMT2A

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed