SCHEMBL7600102

SCHEMBL7600102

CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)CN(CCc2ccccc2)C3=O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.65
ITGA2B P08514 10/20 0.65
ITGAV P06756 2/20 0.44
CCKBR P32239 1/20 0.42
HDAC1 Q13547 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
NAMPT P43490 2/20 0.39
KLKB1 P03952 1/20 0.38
SENP1 Q9P0U3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7600109 1.00 ITGB3 (0.65) ITGB3ITGA2BITGAVCCKBRHDAC1
SCHEMBL7595534 0.94 ITGB3 (0.70) ITGB3ITGA2BITGAVHDAC1NAMPT
SCHEMBL7595536 0.94 ITGB3 (0.70) ITGB3ITGA2BITGAVHDAC1NAMPT
SCHEMBL7399925 0.85 ITGB3 (0.77) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7595085 0.85 ITGB3 (0.77) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7393761 0.81 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7600644 0.81 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7593946 0.79 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7599947 0.78 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7400533 0.77 CCKBR (0.49) ITGB3ITGA2BCCKBRBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed