SCHEMBL6311335

SCHEMBL6311335

C=C(C(=O)NCCCN1CCCC1=O)c1ccc(Sc2ccc3c(c2)CCOO3)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.46
ICAM1 P05362 3/20 0.46
ITGAL P20701 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 5/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 4/20 0.37
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL6310641 0.88 ITGB2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6310390 0.86 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2RAB9A
SCHEMBL6309482 0.83 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL5830329 0.79 ITGB2 (0.70) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6198327 0.77 ITGB2 (0.53) ITGB2ICAM1ITGALSMN1; SMN2L3MBTL1
SCHEMBL7662359 0.77 L3MBTL1 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6199372 0.75 ITGAL (0.49) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6200015 0.74 MEN1 (0.42) ITGALSMN1; SMN2LMNAMAPTRAB9A
SCHEMBL6199134 0.74 MEN1 (0.40) ITGALSMN1; SMN2LMNAMAPTRAB9A
SCHEMBL6199302 0.73 KMT2A (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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 4 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
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed