SCHEMBL6201757

SCHEMBL6201757

CCCCOC(=O)NCC(C)(S)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1534985 0.84 ACHE (0.53) ACHEEPHX2EPHX1
SCHEMBL4764643 0.83 ACHE (0.51) ACHEEPHX2EPHX1
SCHEMBL8909168 0.82 ACHE (0.53) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL3956624 0.76 ACHE (0.53) ACHEEPHX1
SCHEMBL5548918 0.76 MEN1 (0.47) EPHX1
SCHEMBL7397655 0.74 ACHE (0.47) ACHEEPHX2EPHX1
SCHEMBL461365 0.73 ACHE (0.58) ACHEEPHX2EPHX1
SCHEMBL856208 0.73 ACHE (0.50) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL7048610 0.73 ACHE (0.50) ACHEEPHX1
SCHEMBL28231754 0.73 ACHE (0.50) ACHEEPHX1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed