SCHEMBL24919978

SCHEMBL24919978

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC1A1 P43005 4/20 0.43
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42

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
SCHEMBL29487585 1.00 SLC15A1 (0.47) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL23937568 0.88 SLC15A1 (0.47) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL23937684 0.88 SLC15A1 (0.47) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL14514418 0.85 ALDH1A1 (0.50) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL7782945 0.85 ALDH1A1 (0.50) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL7782947 0.85 ALDH1A1 (0.50) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL31668437 0.85 LTA4H (0.44) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL29403049 0.84 SLC7A5 (0.58) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL30461727 0.84 SLC15A1 (0.49) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL29825801 0.84 ALDH1A1 (0.49) SLC15A1ALDH1A1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 WO disclosed