SCHEMBL6916121

SCHEMBL6916121

C=C(C(=O)N1CCCCC1C(=O)NO)c1ccc(Sc2ccccc2OC)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.42
ICAM1 P05362 7/20 0.42
ITGAL P20701 7/20 0.42
KMT2A Q03164 3/20 0.39
FKBP1A P62942 2/20 0.38
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
TACR1 P25103 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6308785 0.85 ITGAL (0.44) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6312229 0.80 ITGAL (0.49) ITGB2ICAM1ITGALKMT2AMAPK1
SCHEMBL6308779 0.79 ITGAL (0.49) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6199010 0.77 ITGAL (0.64) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6199467 0.75 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL6199566 0.75 ITGAL (0.51) ITGB2ICAM1ITGAL
SCHEMBL6196144 0.73 ITGAL (0.46) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6310933 0.73 ITGAL (0.51) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL6197126 0.72 ITGAL (0.50) ITGB2ICAM1ITGALKMT2A
SCHEMBL6199827 0.71 ITGAL (0.45) ITGB2ICAM1ITGALSMN1; SMN2

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