SCHEMBL8524947

SCHEMBL8524947

CN1Cc2ccccc2N[C@@H](C(C(=O)O)C(=O)O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
ITGB3 P05106 15/20 0.40
ITGAV P06756 12/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.37
ITGA2B P08514 9/20 0.37

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
SCHEMBL8584093 1.00 BRD4 (0.48) BRD4CREBBPITGB3ITGAVGAA
SCHEMBL8503077 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5196812 0.75 BRD4 (0.57) BRD4CREBBPITGB3ITGAVGAA
SCHEMBL5191751 0.75 BRD4 (0.57) BRD4CREBBPITGB3ITGAVGAA
SCHEMBL3455376 0.70 ITGB3 (0.49) BRD4CREBBPITGB3ITGAVITGA2B
SCHEMBL8526495 0.70 ITGB3 (0.49) BRD4CREBBPITGB3ITGAVITGA2B
SCHEMBL6663800 0.70 MAPK1 (0.48) BRD4CREBBPITGB3ITGAVGAA
SCHEMBL6840060 0.67 BRD4 (0.43) BRD4ITGB3ITGAVITGA2B
SCHEMBL677636 0.66 BRD4 (1.00) BRD4CREBBPMAPT
SCHEMBL13711866 0.65 BRD4 (0.47) BRD4CREBBPITGB3ITGAVGAA

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