SCHEMBL6987835

SCHEMBL6987835

CCCCOC(=O)NC(O)CCOC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ACHE P22303 7/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CTSK P43235 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6984629 0.88 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL11072059 0.88 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL4734717 0.85 EPHX1 (0.53) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL5496557 0.84 EPHX1 (0.41) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL29078672 0.83 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5622460 0.82 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL2344663 0.80 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL30483896 0.78 EPHX1 (0.44) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL1840802 0.78 EPHX1 (0.44) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL6387680 0.77 LMNA (0.49) EPHX1ACHESMN1; SMN2NPC1RAB9A

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