SCHEMBL8644198

SCHEMBL8644198

N=C(N)c1ccc(C(=O)NC(Oc2ccccc2)(C(=O)O)C(=O)CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
KLK1 P06870 3/20 0.38
KLK5 Q9Y337 2/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
PLAU P00749 4/20 0.37
PLAT P00750 3/20 0.37
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
KLK8 O60259 1/20 0.36
KLK4 Q9Y5K2 1/20 0.36
TPSAB1 Q15661 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
Trifluoroacetic Acid SCHEMBL8646468 0.97 KLK1 (0.43) F10KLK1KLK5ITGB3ITGA2B
SCHEMBL8646001 0.89 ITGB3 (0.45) F10KLK1ITGB3ITGA2BPLAU
Hydrochloric Acid SCHEMBL8647767 0.88 ITGB3 (0.44) F10KLK1ITGB3ITGA2BPLAU
SCHEMBL8645969 0.87 F10 (0.40) F10KLK1ITGB3ITGA2BPLAU
Hydrochloric Acid SCHEMBL8644799 0.86 F10 (0.40) F10KLK1KLK5ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8644121 0.86 KLK1 (0.41) F10KLK1KLK5ITGB3ITGA2B
SCHEMBL8643874 0.86 F10 (0.39) F10KLK1KLK5ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8643480 0.85 KLK1 (0.43) F10KLK1KLK5ITGB3ITGA2B
SCHEMBL8644292 0.85 ITGB3 (0.47) F10ITGB3ITGA2BF2PRSS1
Hydrochloric Acid SCHEMBL8643111 0.85 F10 (0.38) F10KLK1KLK5ITGB3ITGA2B

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