SCHEMBL6312299

SCHEMBL6312299

O=C(C=Cc1ccc(Sc2ccccc2Br)c(Cl)c1)NCCCN1CCCC1=O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 15/20 0.82
ICAM1 P05362 15/20 0.82
ITGAL P20701 15/20 0.82
KMT2A Q03164 4/20 0.47
PYGL P06737 1/20 0.44

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 0.90 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830529 0.89 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL5829935 0.83 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830335 0.81 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL6310646 0.81 ITGAL (0.72) ITGB2ICAM1ITGALPYGL
SCHEMBL6198619 0.81 ITGB2 (0.57) ITGB2ICAM1ITGALKMT2A
SCHEMBL6317251 0.80 ITGB2 (0.71) ITGB2ICAM1ITGALKMT2APYGL
SCHEMBL6198618 0.79 ITGB2 (0.63) ITGB2ICAM1ITGALKMT2A
SCHEMBL7662351 0.79 ITGB2 (0.86) ITGB2ICAM1ITGALKMT2A
SCHEMBL5830377 0.78 ITGB2 (0.62) ITGB2ICAM1ITGALKMT2A

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