SCHEMBL29050979

SCHEMBL29050979

CCOC(=O)CC[C@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)[C@@H](C)NC(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CTSK P43235 1/20 0.32

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
SCHEMBL29051017 0.90 L3MBTL1 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL10140398 0.81 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL15406173 0.81 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL29051005 0.81 ACE (0.41) L3MBTL1KMT2ACTSK
SCHEMBL14777936 0.76 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL14777935 0.76 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL14788878 0.72 L3MBTL1 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL14788871 0.72 L3MBTL1 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL15429400 0.71 HDAC6 (0.35) CYP1A2CYP2C9CYP2C19HTT
SCHEMBL29051031 0.71 CACNA1B (0.34) —

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
CN-116600830-A Conjugated TLR7 and NOD2 agonists 卢布尔雅那大学 2023-08-15 — — CN disclosed
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