SCHEMBL6177046

SCHEMBL6177046

CC(C)(C)OC(=O)N(CCCOS(C)(=O)=O)c1cccc[n+]1[O-].CS(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 4/20 0.32

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
SCHEMBL6180961 0.97 L3MBTL1 (0.34) L3MBTL1F2
SCHEMBL6178236 0.81 L3MBTL1 (0.35) L3MBTL1F2
SCHEMBL6965307 0.75 L3MBTL1 (0.32) L3MBTL1
SCHEMBL6174342 0.71 ITGB3 (0.45) L3MBTL1
SCHEMBL28643624 0.70 F2 (0.52) L3MBTL1F2
SCHEMBL2797220 0.70 HDAC3 (0.47) L3MBTL1
SCHEMBL25048209 0.68 RCE1 (0.44) L3MBTL1
SCHEMBL381079 0.67 KDM4E (0.44) L3MBTL1
SCHEMBL31583919 0.66 CA14 (0.44) L3MBTL1
SCHEMBL20875972 0.65 KDM4E (0.41)

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
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed