SCHEMBL7470329

SCHEMBL7470329

COC(=O)C(N)CC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LTA4H P09960 3/20 0.50
ABCB1 P08183 2/20 0.49
MMP9 P14780 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 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
SCHEMBL30916032 1.00 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL8249778 1.00 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
Hydrochloric Acid SCHEMBL20899707 0.98 SLC15A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
Hydrochloric Acid SCHEMBL20899708 0.98 SLC15A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
Hydrochloric Acid SCHEMBL29828972 0.98 SLC15A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL589203 0.89 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL589202 0.89 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL1264374 0.89 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL32681189 0.89 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL304329 0.88 ABCB1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083291-A1 DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS 深圳利沃生物医药科技有限公司 2023-05-19 WO disclosed
EP-1235807-A1 B-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2002-09-04 EP disclosed
WO-2001038309-A1 β-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-05-31 WO disclosed