SCHEMBL19988095

SCHEMBL19988095

CC(C)(CN)C(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GABRR1 P24046 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.37
GRIK1 P39086 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SLC7A5 Q01650 2/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
CYP2D6 P10635 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TP53 P04637 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
SCHEMBL27926275 0.83 KDM4E (0.33) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL27555031 0.83 KDM4E (0.33) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL22973162 0.81 MEN1 (0.35) KDM4ESLC7A5
SCHEMBL27809118 0.81 MEN1 (0.35) KDM4ESLC7A5
SCHEMBL29957040 0.77 KDM4E (0.39) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL28705428 0.77 PTGS1 (0.52) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL8668420 0.76 CHRM1 (0.36) ALDH1A1MAPTPTGS1CYP2D6HMGCR
SCHEMBL27867633 0.75 RNPEP (0.39) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL4200267 0.75 KDM4E (0.38) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL16036703 0.75 KDM4E (0.38) KDM4EGABRR1ALDH1A1MAPTPTGS1

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-2740738-B1 PLATINUM COMPOUNDS FOR TREATING CELL PROLIFERATIVE DISEASE, PREPARATION METHODS AND USES THEREOF BEIJING FSWELCOME TECH DEVELOPMENT CO LTD (CN) 2018-03-28 EP claimed