SCHEMBL7215543

SCHEMBL7215543

CC(C)(C)OC(=O)NCCCCOc1ccn2c(=O)cc(C(=O)NCC(NS(=O)(=O)c3ccccc3)C(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.44
▸ ITGA2B P08514 7/20 0.44
▸ CA12 O43570 4/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ ITGAV P06756 4/20 0.39
▸ SUCNR1 Q9BXA5 4/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7215536 1.00 ITGB3 (0.44) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7217925 0.99 ITGB3 (0.45) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7217933 0.99 ITGB3 (0.45) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7215960 0.98 ITGB3 (0.44) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7215957 0.98 ITGB3 (0.44) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7215532 0.90 ITGB3 (0.46) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7215526 0.90 ITGB3 (0.46) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7222147 0.88 ITGB3 (0.45) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7222156 0.88 ITGB3 (0.45) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7216571 0.85 ITGB3 (0.44) ITGB3ITGA2BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 — — US disclosed
EP-1115724-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2001-07-18 — — EP disclosed
WO-2000017197-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS BIOCHEM PHARMA INC. (US) 2000-03-30 — — WO disclosed
Send feedback