SCHEMBL29184777

SCHEMBL29184777

CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1nc2cc(N(CCCl)CCCl)ccc2n1C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ REN P00797 7/20 0.42
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ LMNA P02545 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 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
SCHEMBL29184784 1.00 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL24754847 0.94 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138549 0.94 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL31043338 0.91 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL31043293 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138478 0.88 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29184558 0.88 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29184555 0.88 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138484 0.87 HDAC4 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL24754661 0.87 HDAC6 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8

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-117794580-A Polypeptide coupling medicine 肿瘤多肽有限公司 2024-03-29 — — CN disclosed
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