SCHEMBL6498743

SCHEMBL6498743

C=C(C(=O)N1CCN(C(C)C(=O)O)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.49
ICAM1 P05362 6/20 0.49
ITGAL P20701 6/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
USP7 Q93009 2/20 0.41
USP47 Q96K76 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCL2L1 Q07817 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
MGLL Q99685 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5830782 0.89 ITGB2 (0.53) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5829924 0.87 ITGAL (0.64) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5830016 0.84 LMNA (0.51) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5830388 0.84 ITGB2 (0.51) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5830818 0.84 LMNA (0.52) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5830427 0.83 ITGB2 (0.52) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL5830356 0.83 ITGB2 (0.50) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL6199570 0.82 LMNA (0.51) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL6498759 0.82 LMNA (0.51) ITGB2ICAM1ITGALLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL6201123 0.80 ITGB2 (0.47) ITGB2ICAM1ITGALLMNAALDH1A1

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