SCHEMBL7064969

SCHEMBL7064969

O=C(/C=C/c1cc[c]c(C(F)(F)F)c1C(F)(F)F)NCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.49
ICAM1 P05362 6/20 0.49
ITGAL P20701 6/20 0.49
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6217665 0.84 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL6222314 0.81 ITGB2 (0.45) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL6913718 0.81 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL6220454 0.79 ITGB2 (0.42) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL7064971 0.79 RAB9A (0.47) KMT2ARAB9ANPC1MEN1CYP1A2
SCHEMBL6220880 0.74 ITGB2 (0.53) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL5830373 0.73 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL6139462 0.73 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL6139465 0.73 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL13879686 0.73 ITGB2 (0.52) ITGB2ICAM1ITGALKMT2ARAB9A

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