SCHEMBL6181334

SCHEMBL6181334

CC(C)(C)OC(=O)CCN1CCNC(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.53
PLA2G5 P39877 3/20 0.53
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
STS P08842 1/20 0.36
KLK7 P49862 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7285097 0.89 PLA2G10 (0.60) PLA2G10PLA2G5PKMGAAHDAC6
Hydrochloric Acid SCHEMBL7285090 0.88 PLA2G10 (0.59) PLA2G10PLA2G5PKMGAAHDAC6
Hydrochloric Acid SCHEMBL7285100 0.88 PLA2G10 (0.59) PLA2G10PLA2G5PKMGAAHDAC6
SCHEMBL27894045 0.80 PLA2G10 (0.43) PLA2G10PLA2G5PKMGAASCN9A
SCHEMBL1555754 0.78 PLA2G10 (0.40) PLA2G10PLA2G5SCN9ASCN10A
SCHEMBL1556365 0.78 PLA2G10 (0.40) PLA2G10PLA2G5SCN9ASCN10A
SCHEMBL7296713 0.77 PLA2G10 (0.47) PLA2G10PLA2G5PKMGAAHDAC6
SCHEMBL7296705 0.77 PLA2G10 (0.47) PLA2G10PLA2G5PKMGAAHDAC6
SCHEMBL28055093 0.74 PLA2G10 (0.42) PLA2G10PLA2G5PKMGAASTS
SCHEMBL28055137 0.74 PLA2G10 (0.42) PLA2G10PLA2G5PKMGAAHDAC6

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-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 EP disclosed
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 EP disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed