SCHEMBL8645969

SCHEMBL8645969

CCC(=O)C(NC(=O)c1ccc(C(=N)N)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PLAU P00749 5/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
F7 P08709 1/20 0.37
F2 P00734 2/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
NQO2 P16083 1/20 0.37
KLK8 O60259 1/20 0.37
KLK4 Q9Y5K2 1/20 0.37

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
Hydrochloric Acid SCHEMBL8644799 0.99 F10 (0.40) F10ITGB3ITGA2BPLAUPRSS1
Trifluoroacetic Acid SCHEMBL8643480 0.96 KLK1 (0.43) F10ITGB3ITGA2BF2KLK1
SCHEMBL8644172 0.88 SCN5A (0.37)
SCHEMBL8644198 0.87 F10 (0.40) F10ITGB3ITGA2BPLAUPRSS1
SCHEMBL8647713 0.87 POLB (0.35)
SCHEMBL8643488 0.87 F10 (0.39) F10ITGB3ITGA2BPLAUPRSS1
SCHEMBL8648966 0.86 F10 (0.41) F10ITGB3ITGA2BPLAUPRSS1
Hydrochloric Acid SCHEMBL8643292 0.86 F10 (0.43) F10ITGB3ITGA2BPLAUPRSS1
SCHEMBL8642814 0.86 GAA (0.39) ITGB3ITGA2B
SCHEMBL8642824 0.86 GAA (0.39) ITGB3ITGA2B

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
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed