SCHEMBL29221828

SCHEMBL29221828

CC(C)C[C@@H](CN[C@@H](CCC(=O)O)C(=O)Nc1cnc2ccccc2c1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 1/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC4 P56524 5/20 0.44
▸ HDAC3 O15379 4/20 0.44
▸ HDAC7 Q8WUI4 4/20 0.44
▸ HDAC2 Q92769 4/20 0.44
▸ HDAC10 Q969S8 4/20 0.44
▸ HDAC11 Q96DB2 4/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC9 Q9UKV0 4/20 0.44
▸ HDAC5 Q9UQL6 4/20 0.44
▸ MMP3 P08254 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43

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
SCHEMBL29221854 0.88 HDAC1 (0.48) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL29221825 0.79 NPC1 (0.46) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL29221832 0.76 ALDH1A1 (0.49) HDAC3HDAC6MMP3ERAP2ERAP1
SCHEMBL29221824 0.76 ACP1 (0.57) ACP1HDAC1HDAC4HDAC3HDAC7
SCHEMBL30858813 0.76 ACP1 (0.57) ACP1HDAC1HDAC4HDAC3HDAC7
SCHEMBL29221826 0.76 ACP1 (0.57) ACP1HDAC1HDAC4HDAC3HDAC7
SCHEMBL27796159 0.73 GRN (0.56) GCGACP1MMP2MMP9MMP8
SCHEMBL27796162 0.73 GRN (0.56) GCGACP1MMP2MMP9MMP8
SCHEMBL13365400 0.71 KDM4E (0.62) ACP1HDAC1HDAC4HDAC3HDAC7
SCHEMBL29221848 0.71 KDM4E (0.62) ACP1HDAC1HDAC4HDAC3HDAC7

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-117886748-A Quinoline amino acid conjugate and preparation method and application thereof 天津科技大学 2024-04-16 — — CN disclosed
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