SCHEMBL6987838

SCHEMBL6987838

CCCCOC(=O)NC(CCO)OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP1 P29466 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4592660 0.81 EPHX1 (0.42) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL5199197 0.81 ACHE (0.44) ACHEEPHX1ALDH1A1
SCHEMBL5199193 0.81 ACHE (0.44) ACHEEPHX1ALDH1A1
SCHEMBL2551779 0.75 EPHX1 (0.50) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL5553589 0.75 ACHE (0.49) ACHEEPHX1
SCHEMBL7047373 0.75 EPHX1 (0.46) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL17224252 0.74 ACHE (0.47) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL10724239 0.74 EPHX1 (0.48) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL14471704 0.74 CTSK (0.49) ACHEEPHX1ALDH1A1NPC1RAB9A
SCHEMBL23734377 0.73 ACHE (0.50) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed