SCHEMBL8906154

SCHEMBL8906154

COc1ccc(CCC(=O)N[C@@H](Cc2ccc(NC(=O)c3occ4cc(C(=N)N)ccc34)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PRSS1 P07477 5/20 0.44
TMPRSS15 P98073 2/20 0.44
FPR2 P25090 1/20 0.43
CA2 P00918 1/20 0.42
PLG P00747 4/20 0.42
PLAU P00749 4/20 0.42
PLAT P00750 3/20 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
SCHEMBL8903453 0.85 NPC1 (0.48) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8904679 0.82 PLAU (0.50) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8904886 0.82 PLAU (0.49) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8903960 0.80 F2 (0.47) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8904848 0.79 PLAU (0.48) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8905196 0.79 F10 (0.42) ITGB3ITGA2BPRSS1TMPRSS15PLG
SCHEMBL8903880 0.77 F2 (0.41) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8903869 0.77 ITGB3 (0.54) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8905600 0.77 ITGB3 (0.54) ITGB3ITGA2BPRSS1PLGPLAU
SCHEMBL8903828 0.74 MEN1 (0.48) ITGB3ITGA2BPRSS1PLGPLAU

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