SCHEMBL6991627

SCHEMBL6991627

COCCOC1CN(C(=O)OC(C)(C)C)CCC1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.49
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
ALDH1A1 P00352 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
STS P08842 1/20 0.42
CSF1R P07333 2/20 0.42
KDR P35968 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
SCHEMBL6991625 1.00 USP30 (0.49) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL6992769 0.83 USP30 (0.54) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL6992765 0.83 USP30 (0.54) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL19037361 0.78 USP30 (0.58) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL19041868 0.78 USP30 (0.58) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL408174 0.78 USP30 (0.58) USP30KDM4EPKMGPR119ALDH1A1
SCHEMBL1769219 0.74 USP30 (0.71) USP30KDM4EPKMGPR119JAK2
SCHEMBL21409063 0.74 USP30 (0.71) USP30KDM4EPKMGPR119JAK2
SCHEMBL5153452 0.74 USP30 (0.71) USP30KDM4EPKMGPR119JAK2
SCHEMBL23465733 0.74 GPR119 (0.62) GPR119ALDH1A1

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-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed