SCHEMBL6824840

SCHEMBL6824840

CCCCOC(=O)N[C@H](CC(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.55
PLA2G5 P39877 2/20 0.55
ALDH1A1 P00352 2/20 0.53
FOLH1 Q04609 7/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.47
LAP3 P28838 3/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL2455888 1.00 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL1068731 1.00 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
Water SCHEMBL27304038 0.98 PLA2G2A (0.54) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
Water SCHEMBL4794958 0.98 PLA2G2A (0.54) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL30174895 0.95 PLA2G2A (0.57) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL16124610 0.95 PLA2G2A (0.57) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL7771256 0.94 PLA2G2A (0.60) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL7771206 0.94 PLA2G2A (0.60) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL16124633 0.94 PLA2G2A (0.60) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL7771259 0.94 PLA2G2A (0.60) PLA2G2APLA2G5ALDH1A1FOLH1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed