SCHEMBL6489137

SCHEMBL6489137

C=C(C(=O)NCCCN1CC(O)CC1=O)c1ccc(Sc2ccccc2Br)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 15/20 0.41
ICAM1 P05362 15/20 0.41
ITGAL P20701 15/20 0.41
PDE7A Q13946 1/20 0.34
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.31
SMAD3 P84022 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6311149 0.90 ITGB2 (0.40) ITGB2ICAM1ITGALPDE7AKMT2A
SCHEMBL6198619 0.85 ITGB2 (0.57) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830251 0.75 ITGB2 (0.68) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830523 0.73 ITGB2 (0.65) ITGB2ICAM1ITGALKMT2A
SCHEMBL6197862 0.70 PDE7A (0.41) ITGB2ICAM1ITGALPDE7AKMT2A
SCHEMBL5829927 0.68 ITGB2 (0.68) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830329 0.68 ITGB2 (0.70) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL5830364 0.67 PDE7A (0.38) PDE7AKMT2AALDH1A1GAAL3MBTL1
SCHEMBL5830031 0.67 PDE7A (0.44) ITGB2ICAM1ITGALPDE7AKMT2A
SCHEMBL6312299 0.66 ITGB2 (0.82) ITGB2ICAM1ITGALKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed