SCHEMBL29927335

SCHEMBL29927335

COC(=O)[C@@H](C)Cn1cnc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 3/20 0.39
▸ PLA2G4A P47712 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP26A1 O43174 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESRRB O95718 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL29927681 1.00 CPB2 (0.39) CPB2PLA2G4ASMYD3KDM4EMAPK1
SCHEMBL25235849 0.81 CPB2 (0.47) CPB2PLA2G4ASMYD3KDM4E
SCHEMBL14151866 0.74 PLA2G4A (0.42) PLA2G4ASMYD3KDM4EMAPK1L3MBTL1
SCHEMBL24035826 0.74 PLA2G4A (0.37) CPB2PLA2G4ASMYD3KDM4E
SCHEMBL151394 0.72 SMYD3 (0.50) CPB2PLA2G4ASMYD3KDM4EL3MBTL1
SCHEMBL29224232 0.72 PLA2G4A (0.36) CPB2PLA2G4ASMYD3KDM4E
SCHEMBL29016719 0.71 MEN1 (0.40) CPB2SMYD3KDM4EMAPK1MEN1
SCHEMBL3689829 0.70 PLA2G4A (0.40) PLA2G4ASMYD3KDM4EL3MBTL1
SCHEMBL23361721 0.70 RAB9A (0.51) PLA2G4AKDM4EMAPK1L3MBTL1
SCHEMBL710279 0.69 KDM5A (0.54) CPB2PLA2G4ASMYD3KDM4EL3MBTL1

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
EP-4059933-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2022-09-21 — — EP disclosed
Send feedback