SCHEMBL29050982

SCHEMBL29050982

CCOC(=O)CCC(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NOD2 Q9HC29 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSK P43235 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL26895138 1.00 L3MBTL1 (0.52) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL13049193 0.91 L3MBTL1 (0.63) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL29488056 0.89 L3MBTL1 (0.50) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL29051020 0.89 L3MBTL1 (0.50) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL26895135 0.88 CYP1A2 (0.56) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL29050994 0.88 CYP1A2 (0.56) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL29050995 0.88 CYP1A2 (0.56) L3MBTL1NOD2KMT2APOLBCYP1A2
SCHEMBL29051009 0.81 NOD2 (0.62) L3MBTL1NOD2KMT2APOLBCTSK
SCHEMBL29488062 0.81 NOD2 (0.62) L3MBTL1NOD2KMT2APOLBCTSK
SCHEMBL2721298 0.80 CYP1A2 (0.68) 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
CN-116600830-A Conjugated TLR7 and NOD2 agonists 卢布尔雅那大学 2023-08-15 — — CN disclosed
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