SCHEMBL6988966

SCHEMBL6988966

CCCCOC(=O)N[C@@H](C)CO

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
HRH4 Q9H3N8 4/20 0.46
ACHE P22303 10/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1868926 1.00 EPHX1 (0.47) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15589935 1.00 EPHX1 (0.47) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3273487 0.93 HRH3 (0.42) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12311393 0.89 HRH3 (0.40) HRH3HRH4ACHE
SCHEMBL7786505 0.84 EPHX1 (0.46) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8248718 0.84 EPHX1 (0.46) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1004344 0.84 EPHX1 (0.46) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10724239 0.83 EPHX1 (0.48) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8382659 0.82 EPHX1 (0.52) EPHX1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9063089 0.82 EPHX1 (0.44) EPHX1NPC1HPGDRAB9ASMN1; SMN2

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