SCHEMBL31228998

SCHEMBL31228998

CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C1CC1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
AVPR1A P37288 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CCKBR P32239 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL31228946 0.96 AVPR1A (0.42) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31228997 0.95 AVPR1A (0.41) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31229081 0.86 AVPR1A (0.42) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31229025 0.85 L3MBTL1 (0.46) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31229026 0.84 AVPR1A (0.41) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31228942 0.84 L3MBTL1 (0.45) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31229243 0.84 CTSS (0.42) L3MBTL1AVPR1AKMT2APOLB
SCHEMBL31228974 0.83 L3MBTL1 (0.44) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31228951 0.83 L3MBTL1 (0.44) L3MBTL1AVPR1AKMT2APOLBCCKBR
SCHEMBL31228940 0.83 L3MBTL1 (0.44) L3MBTL1AVPR1AKMT2APOLBCCKBR

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