SCHEMBL7450258

SCHEMBL7450258

CC(C)(C)OC(=O)C(CNC(=O)c1ccc(-c2ccc(CN(C(=N)N)C(=O)OC(C)(C)C)cc2)s1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.54
ITGAV P06756 11/20 0.54
ITGA2B P08514 9/20 0.54
ITGB5 P18084 8/20 0.53
ITGB1 P05556 7/20 0.53
ITGA5 P08648 7/20 0.53
ACKR3 P25106 9/20 0.41

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
SCHEMBL7452852 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7450849 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7450839 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7448307 0.82 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7450253 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7448722 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451810 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6502445 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7448314 0.78 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6493323 0.78 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1

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
EP-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed