SCHEMBL7959534

SCHEMBL7959534

CCOC(=O)[C@@H](Cc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)O)cc1)NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
ITGB1 P05556 7/20 0.48
ITGA5 P08648 5/20 0.48
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
USP30 Q70CQ3 1/20 0.48
GPR132 Q9UNW8 1/20 0.47
ITGA4 P13612 3/20 0.47
GRIA1 P42261 1/20 0.46
TP53 P04637 1/20 0.46
P2RY12 Q9H244 1/20 0.46

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
SCHEMBL7962262 0.95 PSMB5 (0.54) PSMB5GAARAB9AUSP30GRIA1
SCHEMBL12004867 0.91 GRIA1 (0.56) PSMB5GAARAB9AUSP30GRIA1
SCHEMBL3938112 0.91 GRIA1 (0.56) PSMB5GAARAB9AUSP30GRIA1
SCHEMBL8013304 0.89 PSMB5 (0.59) PSMB5L3MBTL1ITGB1ITGA5ITGB3
SCHEMBL21623659 0.86 PSMB5 (0.62) PSMB5L3MBTL1USP30GPR132
SCHEMBL9554481 0.86 PSMB5 (0.62) PSMB5L3MBTL1USP30GPR132
SCHEMBL9554659 0.84 GRIA1 (0.61) PSMB5ITGB1ITGA5USP30GPR132
SCHEMBL25496515 0.84 PSMB5 (0.60) PSMB5L3MBTL1GAARAB9AUSP30
SCHEMBL31389155 0.84 PSMB5 (0.60) PSMB5L3MBTL1GAARAB9AUSP30
SCHEMBL28495150 0.84 SMN1; SMN2 (0.52) PSMB5L3MBTL1GAARAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197793-B1 VIRICIDES, BACTERICIDES, FUNGICIDES SMITHKLINE BEECHAM CORPORATION 2001-03-06 US claimed
EP-0861029-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-17 EP claimed
EP-0861029-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP claimed
WO-1997017850-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed
US-6197793-B1 VIRICIDES, BACTERICIDES, FUNGICIDES SMITHKLINE BEECHAM CORPORATION 2001-03-06 US disclosed
EP-0861029-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-17 EP disclosed
EP-0861029-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017850-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed