SCHEMBL8740511

SCHEMBL8740511

NC(=O)CN(C=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL6566174 0.87 ALDH1A1 (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL11436323 0.84 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8592588 0.83 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8323870 0.80 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL28524418 0.78 AGXT (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8960248 0.78 TSHR (0.41) ALDH1A1HCAR2L3MBTL1IDO1
SCHEMBL6951407 0.77 HTT (0.44) ALDH1A1NPC1RAB9AHCAR2MAPK1
SCHEMBL8495462 0.77 CCR6 (0.38) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10473639 0.77 CARM1 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1573556 0.76 TSHR (0.40) ALDH1A1L3MBTL1LMNAIDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697415-A Techniques for preventing or treating infections 拜尔哈文制药股份有限公司 2023-02-03 CN disclosed
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO disclosed