SCHEMBL7654094

SCHEMBL7654094

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.56
PLG P00747 1/20 0.56
PRSS1 P07477 1/20 0.56
BACE1 P56817 9/20 0.52
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
PPID Q08752 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 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
SCHEMBL7654104 1.00 TPSAB1 (0.56) TPSAB1PLGPRSS1BACE1EPHX2
SCHEMBL15382444 0.87 TPSAB1 (0.53) TPSAB1PLGPRSS1BACE1POLB
SCHEMBL30279569 0.86 BACE1 (0.59) TPSAB1PLGPRSS1BACE1KMT2A
SCHEMBL2393583 0.86 BACE1 (0.59) TPSAB1PLGPRSS1BACE1KMT2A
SCHEMBL29253632 0.86 BACE1 (0.59) TPSAB1PLGPRSS1BACE1KMT2A
SCHEMBL13316870 0.85 CTSS (0.55) BACE1CA2CA1PPID
SCHEMBL1752677 0.85 CTSK (0.60) TPSAB1PLGPRSS1BACE1KMT2A
SCHEMBL24347009 0.84 BACE1 (0.60) BACE1KMT2A
SCHEMBL23461953 0.84 TPSAB1 (0.50) TPSAB1PLGPRSS1BACE1POLB
SCHEMBL23832942 0.84 CA2 (0.50) TPSAB1PLGPRSS1BACE1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed