SCHEMBL6058995

SCHEMBL6058995

CCC(C)OC(=O)C(C(=O)O)C(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
EPHX1 P07099 1/20 0.41
MMP13 P45452 2/20 0.41
DPP4 P27487 1/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6059326 0.86 GPR119 (0.48) GPR119EPHX1MMP13DPP4HPGD
SCHEMBL2673897 0.85 GPR119 (0.47) GPR119EPHX1MMP13DPP4HPGD
SCHEMBL6058985 0.80 GPR119 (0.48) GPR119EPHX1DPP4HPGDNPC1
SCHEMBL25819368 0.78 GPR119 (0.56) GPR119EPHX1DPP4HPGDNPC1
SCHEMBL25819386 0.78 GPR119 (0.56) GPR119EPHX1DPP4HPGDNPC1
SCHEMBL13600068 0.78 GPR119 (0.56) GPR119EPHX1DPP4HPGDNPC1
SCHEMBL3420058 0.77 NR1H2 (0.41) GPR119MMP13DPP4
SCHEMBL20232931 0.76 EPHX1 (0.54) GPR119EPHX1DPP4HPGDNPC1
SCHEMBL21995290 0.75 HPGD (0.49) GPR119EPHX1MMP13DPP4HPGD
SCHEMBL4429810 0.75 HPGD (0.49) GPR119EPHX1MMP13DPP4HPGD

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
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed