SCHEMBL8013304

SCHEMBL8013304

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.59
ITGB1 P05556 6/20 0.54
ITGA5 P08648 5/20 0.54
GRIA1 P42261 1/20 0.54
PTPN1 P18031 2/20 0.53
GPR132 Q9UNW8 1/20 0.53
USP30 Q70CQ3 2/20 0.53
ITGA4 P13612 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
FTO Q9C0B1 2/20 0.50
CTSL P07711 1/20 0.49

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
SCHEMBL9554481 0.97 PSMB5 (0.62) PSMB5PTPN1GPR132USP30L3MBTL1
SCHEMBL21623659 0.97 PSMB5 (0.62) PSMB5PTPN1GPR132USP30L3MBTL1
SCHEMBL9554659 0.95 GRIA1 (0.61) PSMB5ITGB1ITGA5GRIA1PTPN1
SCHEMBL12015221 0.90 PSMB5 (0.51) PSMB5ITGB1ITGA5GRIA1PTPN1
SCHEMBL7959534 0.89 PSMB5 (0.53) PSMB5ITGB1ITGA5GRIA1GPR132
SCHEMBL19899634 0.88 FPR2 (0.56) PSMB5ITGB1ITGA5PTPN1GPR132
SCHEMBL19899636 0.88 FPR2 (0.56) PSMB5ITGB1ITGA5PTPN1GPR132
SCHEMBL23633254 0.86 GRM4 (0.53) PSMB5ITGB1ITGA5GPR132L3MBTL1
SCHEMBL19899396 0.86 GRM4 (0.53) PSMB5ITGB1ITGA5GPR132L3MBTL1
SCHEMBL19899394 0.86 GRM4 (0.53) PSMB5ITGB1ITGA5GPR132L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030989-A Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-29 US claimed
US-6030989-A Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-29 US disclosed
EP-0861078-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-03-17 EP disclosed
EP-0861078-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017965-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed