SCHEMBL19554688

SCHEMBL19554688

CCOC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
HPGD P15428 1/20 0.45
DPP4 P27487 1/20 0.45
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 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
SCHEMBL1575174 1.00 GPR119 (0.50) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL21564441 0.88 NR1H2 (0.43) GPR119DPP4L3MBTL1
SCHEMBL4417481 0.86 EED (0.45) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL12082901 0.85 DPP4 (0.55) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL1295289 0.85 GPR119 (0.56) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL13630780 0.84 EPHX1 (0.50) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL13316244 0.83 DPP4 (0.42) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL13600068 0.83 GPR119 (0.56) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL25819386 0.83 GPR119 (0.56) GPR119HPGDDPP4RECQLEPHX1
SCHEMBL25819368 0.83 GPR119 (0.56) GPR119HPGDDPP4RECQLEPHX1

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-3452451-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-03-13 EP disclosed
WO-2017192813-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 WO disclosed