SCHEMBL31228993

SCHEMBL31228993

CCOC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)CN

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NOD1 Q9Y239 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
CAD P27708 1/20 0.36
CTSK P43235 1/20 0.34

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
SCHEMBL20710289 0.90 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL24204924 0.90 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL22111187 0.87 L3MBTL1 (0.79) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL4629331 0.87 L3MBTL1 (0.79) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL3870882 0.87 L3MBTL1 (0.79) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL20341530 0.85 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL25977351 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL26123291 0.84 NOD1 (0.40) L3MBTL1KMT2APOLBNOD1
SCHEMBL26123298 0.84 NOD1 (0.40) L3MBTL1KMT2APOLBNOD1
SCHEMBL20341539 0.82 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9

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