SCHEMBL29101097

SCHEMBL29101097

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccc(OCC(O)C(=O)O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 8/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23827435 1.00 SUCNR1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23827436 1.00 SUCNR1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL29101054 0.93 TDP1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL29101055 0.93 TDP1 (0.43) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23838013 0.90 CA1 (0.39) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23827392 0.84 PSMB8 (0.41) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL23827389 0.84 PSMB8 (0.41) SUCNR1HDAC4HDAC1SIRT5HDAC3
SCHEMBL22012933 0.80 CA1 (0.48) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL22012931 0.80 CA1 (0.48) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL31080074 0.79 SUCNR1 (0.43) SUCNR1CA1CA2NPSR1

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-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN disclosed
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