SCHEMBL23110306

SCHEMBL23110306

C[C@H](CO)[C@@H](C(=O)OCc1ccccc1)N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SYK P43405 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL23110219 0.87 POLB (0.40) POLBSYKL3MBTL1ALDH1A1CTSL
SCHEMBL23110044 0.87 NPSR1 (0.40) POLBSYKL3MBTL1BACE1ALDH1A1
SCHEMBL2499502 0.85 POLB (0.47) POLBSYKL3MBTL1ALDH1A1ABCB1
SCHEMBL30878162 0.85 POLB (0.47) POLBSYKL3MBTL1ALDH1A1ABCB1
SCHEMBL30307663 0.85 POLB (0.47) POLBSYKL3MBTL1ALDH1A1ABCB1
SCHEMBL14502788 0.83 SYK (0.43) POLBSYKL3MBTL1ALDH1A1CTSL
SCHEMBL22346137 0.83 SYK (0.46) POLBSYKL3MBTL1ALDH1A1CTSL
SCHEMBL22346136 0.83 SYK (0.46) POLBSYKL3MBTL1ALDH1A1CTSL
SCHEMBL18922015 0.83 POLB (0.44) POLBSYKL3MBTL1HTR2CSLC6A4
SCHEMBL25203184 0.81 POLB (0.45) POLBSYKL3MBTL1ALDH1A1CTSL

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-2021049633-A1 DRUG FOR CURATIVE THERAPY OF INTRACTABLE HEREDITARY RENAL ALPORT SYNDROME 国立大学法人熊本大学 2021-03-18 WO disclosed