SCHEMBL5830529

SCHEMBL5830529

O=C(C=Cc1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCN1CCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 17/20 1.00
ICAM1 P05362 17/20 1.00
ITGAL P20701 17/20 1.00
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.53

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
SCHEMBL5830259 0.94 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5829935 0.94 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5830335 0.92 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL6312299 0.89 ITGB2 (0.82) ITGB2ICAM1ITGALKMT2A
SCHEMBL6310646 0.84 ITGAL (0.72) ITGB2ICAM1ITGALLMNA
SCHEMBL6317251 0.84 ITGB2 (0.71) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830524 0.83 ITGB2 (0.72) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL7662351 0.83 ITGB2 (0.86) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830254 0.81 ITGB2 (0.70) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5829930 0.81 ITGB2 (0.70) ITGB2ICAM1ITGALKMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
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