SCHEMBL6984629

SCHEMBL6984629

CCCCOC(=O)NC(O)CCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ACHE P22303 7/20 0.46
ALDH1A1 P00352 1/20 0.45
CTSK P43235 2/20 0.45
HRH3 Q9Y5N1 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL4734717 0.93 EPHX1 (0.53) EPHX1ACHEHRH3HRH4NPC1
SCHEMBL11072059 0.93 EPHX1 (0.47) EPHX1ACHEALDH1A1CTSKNPC1
SCHEMBL29078672 0.88 EPHX1 (0.43) EPHX1ACHEALDH1A1CTSKNPC1
SCHEMBL6987835 0.88 EPHX1 (0.43) EPHX1ACHEALDH1A1CTSKCA1
SCHEMBL5622460 0.87 EPHX1 (0.48) EPHX1ACHEALDH1A1NPC1HPGD
SCHEMBL5496557 0.85 EPHX1 (0.41) EPHX1ACHEALDH1A1CTSKNPC1
SCHEMBL14471704 0.83 CTSK (0.49) EPHX1ACHEALDH1A1CTSKHRH3
SCHEMBL30483896 0.82 EPHX1 (0.44) EPHX1ACHEALDH1A1CTSKNPC1
SCHEMBL1840802 0.82 EPHX1 (0.44) EPHX1ACHEALDH1A1NPC1HPGD
SCHEMBL6387680 0.81 LMNA (0.49) EPHX1ACHEHRH3HRH4NPC1

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