SCHEMBL14036623

SCHEMBL14036623

CCc1cc(CNC(=O)OC(C)(C)C)c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
KCNA5 P22460 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NQO2 P16083 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5015072 0.81 NPC1 (0.54) KDM4AKCNA5LMNAL3MBTL1NQO2
SCHEMBL5015064 0.81 KCNA5 (0.46) KDM4AKCNA5KDM4ELMNATDP1
SCHEMBL5460255 0.81 EPHX2 (0.42) KDM4AKCNA5KDM4ELMNATDP1
SCHEMBL25213561 0.80 KDM4A (0.39) KDM4AKCNA5KDM4ELMNATDP1
SCHEMBL15171404 0.80 NPC1 (0.52) KDM4AKCNA5KDM4EL3MBTL1ALDH1A1
SCHEMBL13761066 0.79 KDM4A (0.45) KDM4AKCNA5KDM4ELMNATDP1
SCHEMBL6921464 0.79 IDO1 (0.50) KDM4AKCNA5KDM4EALDH1A1MAPT
SCHEMBL654820 0.79 KDM4A (0.45) KDM4AKCNA5KDM4EL3MBTL1NQO2
SCHEMBL8011978 0.79 AAK1 (0.47) KDM4AKCNA5L3MBTL1NQO2HDAC10
SCHEMBL31142972 0.79 AAK1 (0.47) KDM4AKCNA5L3MBTL1NQO2HDAC10

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed