SCHEMBL7962262

SCHEMBL7962262

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.54
GRIA1 P42261 1/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP30 Q70CQ3 3/20 0.48
ACACB O00763 1/20 0.48
TP53 P04637 2/20 0.47
P2RY12 Q9H244 1/20 0.46
PTGS2 P35354 1/20 0.46
CTSL P07711 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL3938112 0.95 GRIA1 (0.56) PSMB5GRIA1RAB9AGAANPC1
SCHEMBL7959534 0.95 PSMB5 (0.53) PSMB5GRIA1RAB9AGAAUSP30
SCHEMBL12004867 0.95 GRIA1 (0.56) PSMB5GRIA1RAB9AGAANPC1
SCHEMBL28495150 0.88 SMN1; SMN2 (0.52) PSMB5RAB9AGAANPC1PKM
SCHEMBL12984674 0.87 SMN1; SMN2 (0.51) PSMB5RAB9AGAANPC1PKM
SCHEMBL25496515 0.86 PSMB5 (0.60) PSMB5RAB9AGAANPC1PKM
SCHEMBL31389155 0.86 PSMB5 (0.60) PSMB5RAB9AGAANPC1PKM
SCHEMBL12984057 0.85 TP53 (0.51) PSMB5RAB9AGAANPC1PKM
SCHEMBL4990568 0.82 SMN1; SMN2 (0.55) RAB9AGAANPC1PKMKDM4E
SCHEMBL8013304 0.82 PSMB5 (0.59) PSMB5GRIA1USP30CTSL

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 disclosed
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-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
EP-0861078-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
WO-1997017965-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed