SCHEMBL8905528

SCHEMBL8905528

CCOC(=O)COC1CCC(NC(=O)c2cc3ccc(C(=N)N)cc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
ST14 Q9Y5Y6 5/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 4/20 0.42
PRSS3 P35030 4/20 0.42
PLG P00747 2/20 0.42
F10 P00742 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F9 P00740 2/20 0.41
HDAC1 Q13547 1/20 0.40
F2 P00734 4/20 0.39
CHRNA7 P36544 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8715635 1.00 ITGB3 (0.49) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8712786 0.89 F10 (0.40) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8904715 0.89 F10 (0.40) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8717391 0.89 ITGB3 (0.46) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8904739 0.89 ITGB3 (0.46) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8903308 0.81 PLG (0.51) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8712968 0.81 PLG (0.51) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8904590 0.79 TPSAB1 (0.53) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8712942 0.79 TPSAB1 (0.53) ITGB3ITGA2BST14PRSS1PRSS2
SCHEMBL8904600 0.78 ITGB3 (0.49) ITGB3ITGA2BST14PRSS1PRSS2

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