SCHEMBL5720644

SCHEMBL5720644

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ACHE P22303 13/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL1895878 0.86 EPHX2 (0.44) EPHX1ACHE
SCHEMBL8951915 0.80 EPHX1 (0.47) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL297812 0.78 EPHX1 (0.44) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL2829247 0.75 EPHX1 (0.48) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL9186839 0.75 DGKA (0.55) ALDH1A1TSHRNPSR1
Iodide SCHEMBL2310343 0.74 EPHX1 (0.47) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL2138196 0.73 DGKA (0.57) ALDH1A1TSHRLMNANPSR1CA12
SCHEMBL4696577 0.72 ACHE (0.62) EPHX1ACHECA12CA14
SCHEMBL18197713 0.72 PTPN7 (0.58) ALDH1A1TSHRCA12CA14
SCHEMBL1696820 0.71 ACHE (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 WO disclosed