SCHEMBL9505922

SCHEMBL9505922

COc1ccc(C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCNC(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
FOLH1 Q04609 1/20 0.42
HDAC8 Q9BY41 2/20 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
SCHEMBL7348381 0.88 ITGB3 (0.59) ITGB3ITGA2BHDAC1PTPN1
SCHEMBL7314892 0.88 ITGB3 (0.59) ITGB3ITGA2BHDAC1PTPN1
SCHEMBL7378604 0.88 ITGB3 (0.59) ITGB3ITGA2BHDAC1PTPN1
SCHEMBL7343916 0.88 ITGB3 (0.59) ITGB3ITGA2BHDAC1PTPN1
SCHEMBL7352151 0.82 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC3HDAC6
SCHEMBL9505510 0.80 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC3POLB
SCHEMBL10444991 0.78 ITGB3 (0.48) ITGB3ITGA2BHDAC1PTPN1ALDH1A1
SCHEMBL7436661 0.77 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL8408579 0.75 ITGB3 (0.46) ITGB3ITGA2BPTPN1ALDH1A1
SCHEMBL9295158 0.75 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC3HDAC6

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