SCHEMBL6023653

SCHEMBL6023653

CCC(=O)OCCCCOC(=O)NCC1(OC(C)=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.41
ACHE P22303 13/20 0.38
EPHX2 P34913 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL1727795 0.78 ACHE (0.32) ACHE
SCHEMBL3809933 0.78
SCHEMBL3810910 0.78 HCRTR2 (0.30)
SCHEMBL5046422 0.77 P2RX7 (0.30)
SCHEMBL3818944 0.77
SCHEMBL6883487 0.77
SCHEMBL3818365 0.75 CTSL (0.31)
SCHEMBL27485317 0.75 TSHR (0.39)
SCHEMBL27554172 0.73 HCRTR2 (0.41) EPHX1
SCHEMBL6024135 0.73

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-1677812-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-07-12 EP disclosed
WO-2005027850-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2005-03-31 WO disclosed