SCHEMBL7007942

SCHEMBL7007942

O=C(CC(Sc1cccc(NC(=O)c2cccc(Nc3ccccn3)c2)c1)c1ccccc1)OC(=O)CC(Sc1ccccc1NC(=O)c1cccc(Nc2ccccn2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGAV P06756 13/20 0.44
ITGA2B P08514 7/20 0.44
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
BRAF P15056 1/20 0.38
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7007936 0.93 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL2836903 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL2836649 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2BMAPTKDM4E
SCHEMBL2837824 0.81 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL2838053 0.80 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL2841463 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL2838617 0.79 ITGB3 (0.58) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL2836137 0.77 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL2841958 0.74 ITGB3 (0.54) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL2836209 0.74 ITGB3 (0.68) ITGB3ITGAVITGA2B

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-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP claimed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO claimed