SCHEMBL6965307

SCHEMBL6965307

CC(O)CCN(C(=O)OC(C)(C)C)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
MMP13 P45452 1/20 0.30
SLC2A1 P11166 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6178236 0.83 L3MBTL1 (0.35) L3MBTL1SLC2A1KDM4ETDP1
SCHEMBL6180961 0.77 L3MBTL1 (0.34) L3MBTL1MMP13
SCHEMBL6177046 0.75 L3MBTL1 (0.32) L3MBTL1
SCHEMBL6174342 0.70 ITGB3 (0.45) L3MBTL1KDM4E
SCHEMBL3711368 0.65 CTSK (0.38)
SCHEMBL255184 0.63 CA14 (0.38)
SCHEMBL2955454 0.63 TDP1 (0.37) SLC2A1KDM4ETDP1
SCHEMBL1624562 0.63 MEN1 (0.50) L3MBTL1
SCHEMBL27268544 0.62 CA14 (0.43) TDP1
SCHEMBL27268565 0.62 CA14 (0.43) TDP1

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
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
US-6458814-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT OF OSTEOPOROSIS: TREATMENT OF INFLAMMATION, CANCER AND CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, AND DISEASES WHEREIN BONE RESORPTION IS A FACTOR, SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
CN-1322133-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-11-14 CN disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 WO disclosed