SCHEMBL8712416

SCHEMBL8712416

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cc3ccc(C(=N)N)cc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
SMYD3 Q9H7B4 2/20 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
SCHEMBL8904038 1.00 PLG (0.47) PLGPLAUITGB3ITGA2BRET
SCHEMBL8903308 0.89 PLG (0.51) PLGPLAUITGB3ITGA2BRET
SCHEMBL8712968 0.89 PLG (0.51) PLGPLAUITGB3ITGA2BRET
SCHEMBL8903303 0.87 ITGB3 (0.56) PLGPLAUITGB3ITGA2BSMYD3
SCHEMBL8715830 0.87 ITGB3 (0.56) PLGPLAUITGB3ITGA2BSMYD3
SCHEMBL8903628 0.83 DRD2 (0.49) RETKDRSMYD3
SCHEMBL8713035 0.83 DRD2 (0.49) RETKDRSMYD3
SCHEMBL8712786 0.81 F10 (0.40) PLGITGB3ITGA2B
SCHEMBL8904715 0.81 F10 (0.40) PLGITGB3ITGA2B
SCHEMBL8903361 0.80 F2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
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