SCHEMBL6157816

SCHEMBL6157816

C=CCOC(=O)[C@@H](N)CC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.43
FAAH O00519 1/20 0.42
CASP1 P29466 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 1/20 0.40

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
Hydrochloric Acid SCHEMBL6159516 0.99 SLC15A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL29829201 0.93 SLC15A1 (0.48) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL589202 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL32681189 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL1264374 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL589203 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL25261652 0.86 ALDH1A1 (0.45) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL14365481 0.86 ALDH1A1 (0.45) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL25261650 0.86 ALDH1A1 (0.45) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL14762001 0.85 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
CN-1308542-A Succinamide inhibitors of interleukin-1 beta converting enzyme WARNET LAMBERT CO (US) 2001-08-15 CN disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed