SCHEMBL6310646

SCHEMBL6310646

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.72
ITGB2 P05107 15/20 0.72
ICAM1 P05362 15/20 0.72
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PYGL P06737 1/20 0.45

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
SCHEMBL6311339 0.89 ITGAL (0.69) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL6310393 0.89 ITGAL (0.58) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL6309487 0.88 ITGB2 (0.58) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL5830529 0.84 ITGB2 (1.00) ITGALITGB2ICAM1LMNA
SCHEMBL6317251 0.84 ITGB2 (0.71) ITGALITGB2ICAM1PYGL
SCHEMBL6312299 0.81 ITGB2 (0.82) ITGALITGB2ICAM1PYGL
SCHEMBL5830259 0.79 ITGB2 (1.00) ITGALITGB2ICAM1LMNA
SCHEMBL5829935 0.79 ITGB2 (1.00) ITGALITGB2ICAM1LMNA
SCHEMBL5830335 0.77 ITGB2 (1.00) ITGALITGB2ICAM1LMNA
SCHEMBL7662351 0.75 ITGB2 (0.86) ITGALITGB2ICAM1

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