SCHEMBL7014484

SCHEMBL7014484

Cc1cc(OCCCNc2ccccn2)ccc1C1CC1CC(=O)O.O=C(O)CC1CC1c1ccc(OCCCNc2ccccn2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.66
ITGAV P06756 18/20 0.66
ITGB1 P05556 6/20 0.66
ITGB5 P18084 5/20 0.48
ITGA2B P08514 4/20 0.48
ITGB6 P18564 4/20 0.44
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
ITGA5 P08648 1/20 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
SCHEMBL7014485 0.93 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6319798 0.90 ITGB3 (0.72) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6319858 0.90 ITGB3 (0.72) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6321791 0.84 ITGB3 (0.72) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6325089 0.84 ITGB3 (0.72) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6324900 0.81 ITGB3 (0.70) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6319031 0.81 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6321240 0.80 ITGB3 (0.68) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6526944 0.79 ITGB3 (0.65) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL6528778 0.77 ITGB3 (0.65) ITGB3ITGAVITGB1ITGB5ITGA2B

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
EP-1289960-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP claimed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO claimed