SCHEMBL7447745

SCHEMBL7447745

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
TPSAB1 Q15661 2/20 0.49
PLG P00747 1/20 0.49
PRSS1 P07477 1/20 0.49
BACE1 P56817 3/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7447752 1.00 GAA (0.54) GAAL3MBTL1PPARGPPARATPSAB1
SCHEMBL372131 0.85 PPARG (0.51) GAAL3MBTL1PPARGPPARAALDH1A1
SCHEMBL7654104 0.83 TPSAB1 (0.56) GAAL3MBTL1TPSAB1PLGPRSS1
SCHEMBL15382444 0.83 TPSAB1 (0.53) GAAL3MBTL1TPSAB1PLGPRSS1
SCHEMBL7654094 0.83 TPSAB1 (0.56) GAAL3MBTL1TPSAB1PLGPRSS1
SCHEMBL6803119 0.82 CTSS (0.63) PPARGPPARA
SCHEMBL6803382 0.82 CTSS (0.63) PPARGPPARA
SCHEMBL6803127 0.82 CTSS (0.63) PPARGPPARA
SCHEMBL9328534 0.82 REN (0.56) BACE1
SCHEMBL9328525 0.82 REN (0.56) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed