SCHEMBL7599956

SCHEMBL7599956

NN=Cc1ccc(C(=O)Nc2ccc3c(c2)NC(CC(=O)O)CN(CCc2ccccc2)C3=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.79
ITGA2B P08514 13/20 0.79
ITGAV P06756 2/20 0.45
ACHE P22303 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL7593955 0.95 ITGB3 (0.79) ITGB3ITGA2BITGAVACHESMN1; SMN2
SCHEMBL7599947 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7600644 0.84 ITGB3 (0.83) ITGB3ITGA2BITGAVACHEALDH1A1
SCHEMBL7393761 0.84 ITGB3 (0.83) ITGB3ITGA2BITGAVACHEALDH1A1
SCHEMBL7399925 0.83 ITGB3 (0.77) ITGB3ITGA2BITGAVACHEALDH1A1
SCHEMBL7593946 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7595085 0.83 ITGB3 (0.77) ITGB3ITGA2BITGAVACHEALDH1A1
SCHEMBL7405763 0.82 ITGB3 (0.89) ITGB3ITGA2BITGAV
SCHEMBL7596417 0.81 ITGB3 (0.52) ITGB3ITGA2BITGAVACHEHDAC1
SCHEMBL7397690 0.81 ITGB3 (0.77) ITGB3ITGA2BITGAV

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