SCHEMBL10140601

SCHEMBL10140601

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.62
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CDC25B P30305 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP9 P14780 1/20 0.44
ABCB1 P08183 1/20 0.44
SLC1A1 P43005 3/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL14768478 1.00 SLC15A1 (0.62) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL1264374 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL32681189 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL589203 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL730848 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL4523936 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL5898461 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL589202 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL8249778 0.86 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL7470329 0.86 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B

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
WO-2023002012-A1 STAR-SHAPED PASP-OLIGOAMINE DERIVATIVES POLYPEPTIDE THERAPEUTIC SOLUTIONS, S.L. (ES) 2023-01-26 WO disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed