SCHEMBL2598523

SCHEMBL2598523

CCOC(=S)C(OCc1ccccc1)[C@H]1OC(C)(C)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPID Q08752 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL2598551 0.87 IDO1 (0.37) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2598554 0.87 IDO1 (0.37) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2598522 0.83 SLC1A3 (0.43) IDO1KMT2ALMNASLC1A3SLC1A2
SCHEMBL2598530 0.83 SLC1A3 (0.43) IDO1KMT2ALMNASLC1A3SLC1A2
SCHEMBL2598549 0.81 SLC1A3 (0.38) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2598519 0.80 SLC1A3 (0.35) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2598442 0.74 SLC1A3 (0.37) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL2598446 0.74 SLC1A3 (0.37) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL18302851 0.71 SLC1A1 (0.41) IDO1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL18302853 0.71 SLC1A1 (0.41) IDO1KMT2ASLC1A3SLC1A2SLC1A1

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-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed