SCHEMBL6309482

SCHEMBL6309482

C=C(C(=O)NCCCN1CCCC1=O)c1ccc(Sc2ccc3c(c2)CCOO3)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.43
ICAM1 P05362 7/20 0.43
ITGAL P20701 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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; SMN2HPGD
SCHEMBL6310390 0.83 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL6311335 0.83 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL6199687 0.75 ITGB2 (0.67) ITGB2ICAM1ITGALSMN1; SMN2RAB9A
SCHEMBL6197072 0.73 ITGB2 (0.55) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL6198059 0.73 ITGAL (0.46) ITGB2ICAM1ITGALLMNA
SCHEMBL6199457 0.72 ITGB2 (0.51) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL6195217 0.72 ITGAL (0.48) ITGB2ICAM1ITGALRAB9A
SCHEMBL6309487 0.70 ITGB2 (0.58) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL6310919 0.70 ITGB2 (0.71) ITGB2ICAM1ITGALRAB9ARXFP1

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