Sugi Predict

Sugi Predict / Compounds / SCHEMBL6309016

SCHEMBL6309016

SCHEMBL6309016

O=C(/C=C/c1c(-c2ccccc2N2CCCC(C(=O)O)C2)cc(Sc2cc(-c3ccccc3N3CCCC(C(=O)O)C3)c(/C=C/C(=O)NCCCN3CCCC3=O)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)NCCCN1CCCC1=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 16/20 0.57
▸ ICAM1 P05362 16/20 0.57
▸ ITGAL P20701 16/20 0.57

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
SCHEMBL6310946 0.89 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL6309030 0.85 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL6311605 0.78 ITGAL (0.41) ITGB2ICAM1ITGAL
SCHEMBL6310956 0.78 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL6308992 0.77 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL6311959 0.76 ITGAL (0.40) ITGB2ICAM1ITGAL
SCHEMBL6309592 0.75 ITGB2 (0.40) ITGB2ICAM1ITGAL
SCHEMBL14362534 0.71 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL5449215 0.71 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL5830373 0.70 ITGB2 (0.56) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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