SCHEMBL22816909

SCHEMBL22816909

COC(=O)c1[nH]nnc1-c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ ALPL P05186 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.47
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ TP53 P04637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HSP90AA1 P07900 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ MET P08581 1/20 0.41

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
SCHEMBL23294484 0.84 KDM4E (0.58) MAPTALPLNPC1RAB9AKDM4E
SCHEMBL22608589 0.82 KDM4E (0.43) MAPTALPLNPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL22608586 0.78 KDM4E (0.51) MAPTALPLNPC1RAB9AKDM4E
SCHEMBL23294291 0.76 HSP90AA1 (0.53) MAPTALPLKDM4ETP53LMNA
SCHEMBL19715740 0.74 RAB9A (0.48) MAPTALPLNPC1RAB9AKDM4E
SCHEMBL19669150 0.74 ALDH1A1 (0.53) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL31130227 0.73 MAPT (0.50) MAPTALPLNPC1RAB9AKDM4E
SCHEMBL9949375 0.73 MAPT (0.59) MAPTALPLNPC1RAB9AKDM4E
SCHEMBL14886743 0.73 GSK3A (0.58) MAPTNPC1RAB9AKDM4EGSK3A
SCHEMBL410978 0.72 KDM4E (0.50) MAPTNPC1RAB9AKDM4ELMNA

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
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 — — WO disclosed
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