SCHEMBL6059006

SCHEMBL6059006

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
DPP4 P27487 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
AEBP2 Q6ZN18 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL122218 0.85 GPR119 (0.50) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL8495308 0.79 HPGD (0.53) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL27446359 0.79 DPP4 (0.52) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL3821259 0.78 EPHX1 (0.54) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL1873727 0.78 EPHX1 (0.50) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL22284409 0.78 GPR119 (0.44) GPR119HPGDRECQLEPHX1ALDH1A1
SCHEMBL1422213 0.78 HPGD (0.51) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL7493781 0.78 HPGD (0.51) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL22284440 0.78 GPR119 (0.42) GPR119DPP4HPGDRECQLEPHX1
SCHEMBL22284441 0.78 GPR119 (0.42) GPR119DPP4HPGDRECQLEPHX1

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 3 patents. 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
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed