SCHEMBL8903303

SCHEMBL8903303

N=C(N)c1ccc2cc(C(=O)NC3CCC(OCC(=O)O)CC3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGA2B P08514 15/20 0.56
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
SMYD3 Q9H7B4 2/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL8715830 1.00 ITGB3 (0.56) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL8903308 0.89 PLG (0.51) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL8712968 0.89 PLG (0.51) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL8904038 0.87 PLG (0.47) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL8712416 0.87 PLG (0.47) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL32665962 0.84 SMYD3 (0.60) ITGB3ITGA2BPLGPLAUSMYD3
SCHEMBL8904739 0.79 ITGB3 (0.46) ITGB3ITGA2BPLGF2F10
SCHEMBL8717391 0.79 ITGB3 (0.46) ITGB3ITGA2BPLGF2F10
SCHEMBL8904670 0.78 F2 (0.55) ITGB3ITGA2BF2
SCHEMBL8716704 0.78 F2 (0.55) ITGB3ITGA2BF2

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed