SCHEMBL6175350

SCHEMBL6175350

CC(CC(=O)O)Cc1ccc(OCCCNC2=NC=CCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.59
ITGAV P06756 13/20 0.59
ITGB1 P05556 8/20 0.59
ITGB6 P18564 4/20 0.59
ITGB5 P18084 3/20 0.59
ITGA5 P08648 5/20 0.41
SUCNR1 Q9BXA5 2/20 0.36
ITGA2B P08514 1/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL6178117 0.87 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6178761 0.87 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6179695 0.87 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177908 0.74 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6175356 0.70 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177744 0.66 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL5870544 0.66 ACACB (0.60)
SCHEMBL6177264 0.65 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177062 0.65 LDHA (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL13643128 0.65 MAOB (0.64) ITGB3ITGAVITGB1ITGB6ITGB5

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed