SCHEMBL687728

SCHEMBL687728

O=C(O)C[C@H](NC(=O)Nc1cccn(CCC2=CC=CCC2=S)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGA2B P08514 8/20 0.41
ITGAV P06756 6/20 0.39
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 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
SCHEMBL687895 0.82 PTGER3 (0.35) ITGB3ITGAVKMT2AMEN1
SCHEMBL687727 0.82 POLB (0.44) ITGB3ITGA2BITGAVRAB9A
SCHEMBL687571 0.80 ALDH1A1 (0.50) ITGB3ITGA2BITGAVKMT2AMEN1
SCHEMBL687832 0.80 PTGER3 (0.41) KMT2AMEN1
SCHEMBL687749 0.80 GAA (0.48) ITGB3ITGA2BITGAVRAB9AGAA
SCHEMBL688384 0.80 KDM4E (0.42) KMT2AMEN1
SCHEMBL687918 0.80 KDM4E (0.44) RAB9AKMT2AMEN1
SCHEMBL687837 0.79 MAPT (0.37) RAB9AKMT2AMEN1
SCHEMBL4757908 0.79 ITGB3 (0.42) ITGB3ITGA2BITGAVGAAITGB5
SCHEMBL688104 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVRAB9AKMT2A

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed