SCHEMBL8525346

SCHEMBL8525346

COC(=O)C[C@H]1Nc2ccc(I)cc2CN(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGAV P06756 15/20 0.48
ITGA2B P08514 12/20 0.47

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
SCHEMBL7919360 1.00 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL8187415 0.87 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL8503323 0.87 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7909994 0.86 BRD4 (0.49) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4023860 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4024909 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL8526495 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL3455376 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL7917615 0.79 ITGB3 (0.41) ITGB3ITGAV

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP claimed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO claimed
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP disclosed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO disclosed