SCHEMBL31228953

SCHEMBL31228953

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
AVPR1A P37288 1/20 0.35
CASP3 P42574 3/20 0.35
CASP8 Q14790 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PRCP P42785 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLO1 Q04760 1/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL31228935 0.93 LMNA (0.38) LMNAMAPK1KMT2APOLBAVPR1A
SCHEMBL31228974 0.93 L3MBTL1 (0.44) CCKBRL3MBTL1LMNAMAPK1KMT2A
SCHEMBL31229078 0.91 MAPT (0.39) CCKBRL3MBTL1LMNAMAPK1KMT2A
SCHEMBL31294197 0.89 CASP3 (0.38) CCKBRLMNAMAPK1KMT2AAVPR1A
SCHEMBL31294281 0.87 ALDH1A1 (0.43) CCKBRL3MBTL1LMNAMAPK1KMT2A
SCHEMBL31228951 0.87 L3MBTL1 (0.44) CCKBRL3MBTL1KMT2APOLBAVPR1A
SCHEMBL31228925 0.87 L3MBTL1 (0.44) CCKBRL3MBTL1KMT2APOLBAVPR1A
SCHEMBL31229308 0.86 LMNA (0.37) CCKBRL3MBTL1LMNAMAPK1KMT2A
SCHEMBL31229137 0.85 L3MBTL1 (0.44) CCKBRL3MBTL1LMNAMAPK1KMT2A
SCHEMBL31294337 0.85 ALDH1A1 (0.39) CCKBRLMNAMAPK1AVPR1ACASP3

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