SCHEMBL6310393

SCHEMBL6310393

O=C(C=Cc1ccc(Sc2ccc3c(c2)OCCO3)c(C(F)(F)F)c1)NCCCN1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.58
ITGB2 P05107 17/20 0.57
ICAM1 P05362 17/20 0.57
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6310646 0.89 ITGAL (0.72) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL6311339 0.87 ITGAL (0.69) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL6309487 0.82 ITGB2 (0.58) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL5830377 0.82 ITGB2 (0.62) ITGALITGB2ICAM1ALDH1A1
SCHEMBL6311748 0.80 ITGB2 (0.59) ITGALITGB2ICAM1
SCHEMBL6309800 0.79 ITGB2 (0.58) ITGALITGB2ICAM1SMN1; SMN2
SCHEMBL13879686 0.75 ITGB2 (0.52) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL7662351 0.73 ITGB2 (0.86) ITGALITGB2ICAM1
SCHEMBL6317251 0.73 ITGB2 (0.71) ITGALITGB2ICAM1
SCHEMBL5830529 0.72 ITGB2 (1.00) ITGALITGB2ICAM1LMNA

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