SCHEMBL29019462

SCHEMBL29019462

CC(C)(C)OC(=O)N[C@@](C)(OC(=O)c1cscn1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
HPGDS O60760 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ATR Q13535 1/20 0.32
SCN9A Q15858 1/20 0.30
ABCB1 P08183 1/20 0.30
TRPA1 O75762 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL2551266 0.81 KDM4E (0.50) KDM4EHPGDSMAP3K5PIM1
SCHEMBL28254377 0.78 CA1 (0.44) KDM4EHPGDSMAP3K5ATRABCB1
SCHEMBL112151 0.73 KDM4E (0.42) KDM4EMAP3K5PIM1
SCHEMBL28733738 0.73 IDO1 (0.44) KDM4ESCN9AABCB1
SCHEMBL31307603 0.72 TDP2 (0.46) ATRPIM1
SCHEMBL23367108 0.71 KDM4E (0.40) KDM4EMAP3K5
SCHEMBL27558258 0.71 CA12 (0.46) KDM4E
SCHEMBL269086 0.69
SCHEMBL15701181 0.69 GRM4 (0.50) MAP3K5PIM1
SCHEMBL17629661 0.69 KDM4E (0.50) KDM4EMAP3K5SCN9APIM1

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed