SCHEMBL7401175

SCHEMBL7401175

CN(C(=O)OC(C)(C)C)C(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
AAK1 Q2M2I8 2/20 0.36
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
REN P00797 1/20 0.32
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL7401177 1.00 MMP13 (0.39) MMP13AAK1GAAMEN1KMT2A
SCHEMBL27908634 1.00 MMP13 (0.39) MMP13AAK1GAAMEN1KMT2A
SCHEMBL23879143 0.88 MMP13 (0.37) MMP13AAK1HDAC6HDAC1HDAC2
SCHEMBL18248121 0.87 MMP13 (0.38) MMP13AAK1GAAMEN1KMT2A
SCHEMBL21435676 0.87 MMP13 (0.38) MMP13AAK1GAAMEN1KMT2A
SCHEMBL2581321 0.86 AAK1 (0.38) MMP13AAK1GAAMEN1KMT2A
SCHEMBL626316 0.85 AAK1 (0.39) MMP13AAK1GAAMEN1KMT2A
SCHEMBL1162878 0.85 MMP13 (0.39) MMP13AAK1GAAMEN1KMT2A
SCHEMBL953166 0.85 MMP13 (0.39) MMP13AAK1GAAMEN1KMT2A
SCHEMBL626315 0.85 AAK1 (0.39) MMP13AAK1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103159638-A Synthesis of N-methyl-D-aspartic acid ZHANGJIAGANG WEISHENG BIOLOG MEDICAL CO LTD 2013-06-19 CN disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 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
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed