SCHEMBL31228951

SCHEMBL31228951

CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)[C@@H](C)CC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CCKBR P32239 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
AVPR1A P37288 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PSMB5 P28074 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
SCHEMBL31228925 1.00 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCCKBRNOS3
SCHEMBL31228974 0.93 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCCKBRALDH1A1
SCHEMBL31229000 0.93 L3MBTL1 (0.46) L3MBTL1KMT2APOLBNOS3NOS1
SCHEMBL31229024 0.90 L3MBTL1 (0.44) L3MBTL1KMT2APOLBNOS3NOS1
SCHEMBL31229025 0.89 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCCKBRALDH1A1
SCHEMBL31229078 0.87 MAPT (0.39) L3MBTL1KMT2APOLBCCKBRALDH1A1
SCHEMBL31294281 0.87 ALDH1A1 (0.43) L3MBTL1KMT2APOLBCCKBRALDH1A1
SCHEMBL31228953 0.87 CCKBR (0.39) L3MBTL1KMT2APOLBCCKBRNOS3
SCHEMBL31228940 0.86 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCCKBRNOS3
SCHEMBL31228942 0.86 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCCKBRALDH1A1

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-2024224093-A1 DESMURAMYLPEPTIDE DIEESTERS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed