SCHEMBL1895878

SCHEMBL1895878

CCCCOC(=O)NC#CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
PTPN7 P35236 3/20 0.41
EPHX1 P07099 1/20 0.41
HMGCR P04035 1/20 0.41
ACHE P22303 12/20 0.40

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
SCHEMBL5720644 0.86 EPHX1 (0.40) EPHX1ACHE
SCHEMBL3645511 0.83 EPHX2 (0.53) EPHX2PTPN7HMGCRACHE
SCHEMBL8951915 0.82 EPHX1 (0.47) EPHX1ACHE
SCHEMBL297812 0.79 EPHX1 (0.44) EPHX1ACHE
SCHEMBL2829247 0.76 EPHX1 (0.48) EPHX1ACHE
Iodide SCHEMBL2310343 0.75 EPHX1 (0.47) EPHX1ACHE
SCHEMBL7458589 0.72 EPHX1 (0.52) EPHX1ACHE
SCHEMBL1161597 0.71 ACHE (0.65) EPHX2ACHE
SCHEMBL2704939 0.71 EPHX1 (0.50) EPHX1ACHE
SCHEMBL10953430 0.71 EPHX1 (0.50) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877175-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS Sova Pharmaceuticals, Inc. (US) 2015-06-03 EP disclosed
WO-2014018571-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
EP-2493571-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-09-05 EP disclosed
WO-2011059731-A1 ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-19 WO disclosed
EP-2173724-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2010-04-14 EP disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed