SCHEMBL9505510

SCHEMBL9505510

COc1ccc(CC(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCNC(=N)N)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CTSD P07339 9/20 0.47
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL7343916 0.90 ITGB3 (0.59) ITGB3ITGA2BCTSDHDAC1
SCHEMBL7348381 0.90 ITGB3 (0.59) ITGB3ITGA2BCTSDHDAC1
SCHEMBL7378604 0.90 ITGB3 (0.59) ITGB3ITGA2BCTSDHDAC1
SCHEMBL7314892 0.90 ITGB3 (0.59) ITGB3ITGA2BCTSDHDAC1
SCHEMBL8408579 0.83 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL10444991 0.80 ITGB3 (0.48) ITGB3ITGA2BCTSDHDAC1
SCHEMBL9505922 0.80 ITGB3 (0.55) ITGB3ITGA2BPOLBHDAC3HDAC1
SCHEMBL7318679 0.79 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7357729 0.78 L3MBTL1 (0.66) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7343514 0.75 ITGB3 (0.48) ITGB3ITGA2BHDAC3HDAC1HDAC2

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
EP-0352249-B1 NOVEL PLATELET-AGGREGATION INHIBITORS Monsanto Company (US) 1993-09-08 EP claimed
EP-0352249-A1 Novel platelet-aggregation inhibitors Monsanto Company (US) 1990-01-24 EP claimed
EP-0352249-A1 Novel platelet-aggregation inhibitors Monsanto Company (US) 1990-01-24 EP disclosed