SCHEMBL6984631

SCHEMBL6984631

CCCCOC(=O)NCCCCCO

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.87
EPHX1 P07099 1/20 0.56
EPHX2 P34913 2/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL4734720 1.00 ACHE (0.87) ACHEEPHX1EPHX2TDP1
SCHEMBL10724300 1.00 ACHE (0.87) ACHEEPHX1EPHX2TDP1
SCHEMBL13700681 0.98 ACHE (0.90) ACHEEPHX1EPHX2TDP1
SCHEMBL8801572 0.98 ACHE (0.83) ACHEEPHX1EPHX2TDP1
SCHEMBL27051138 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL14891267 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL27051136 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL10897404 0.93 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL9693989 0.93 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL5245046 0.93 ACHE (1.00) ACHEEPHX1EPHX2

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