SCHEMBL8903308

SCHEMBL8903308

CCOC(=O)COC1CCC(NC(=O)c2cc3ccc(C(=N)N)cc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.51
PLAU P00749 1/20 0.51
ITGB3 P05106 11/20 0.50
ITGA2B P08514 11/20 0.50
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
SMYD3 Q9H7B4 4/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
NSD2 O96028 1/20 0.39
SETD2 Q9BYW2 1/20 0.39

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
SCHEMBL8712968 1.00 PLG (0.51) PLGPLAUITGB3ITGA2BPRSS1
SCHEMBL8712416 0.89 PLG (0.47) PLGPLAUITGB3ITGA2BSMYD3
SCHEMBL8904038 0.89 PLG (0.47) PLGPLAUITGB3ITGA2BSMYD3
SCHEMBL8903303 0.89 ITGB3 (0.56) PLGPLAUITGB3ITGA2BPRSS1
SCHEMBL8715830 0.89 ITGB3 (0.56) PLGPLAUITGB3ITGA2BPRSS1
SCHEMBL32665962 0.81 SMYD3 (0.60) PLGPLAUITGB3ITGA2BPRSS1
SCHEMBL8715635 0.81 ITGB3 (0.49) PLGITGB3ITGA2BPRSS1PRSS2
SCHEMBL8905528 0.81 ITGB3 (0.49) PLGITGB3ITGA2BPRSS1PRSS2
SCHEMBL8904590 0.80 TPSAB1 (0.53) PLGITGB3ITGA2BPRSS1PRSS2
SCHEMBL8712942 0.80 TPSAB1 (0.53) PLGITGB3ITGA2BPRSS1PRSS2

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