SCHEMBL9040447

SCHEMBL9040447

CC(C)NC(=O)c1cscc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MLYCD O95822 1/20 0.33
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13753399 0.83 GAA (0.49) ALOX5GAAALDH1A1HPGDKDM4E
SCHEMBL9040442 0.79 DHODH (0.46) ALOX5GAAALDH1A1HPGDKDM4E
SCHEMBL8150129 0.74 ALOX5 (0.44) ALOX5GAAALDH1A1HPGDKDM4E
SCHEMBL376967 0.73 LCK (0.32) KDM4E
SCHEMBL13753462 0.72 ALDH1A1 (0.40) GAAALDH1A1HPGDL3MBTL1TP53
SCHEMBL9044384 0.71 DHODH (0.47) GAAALDH1A1HTTMAPTL3MBTL1
SCHEMBL2185826 0.70 ALOX5 (0.41) ALOX5GAAALDH1A1HPGDKDM4E
SCHEMBL2188574 0.69 INPPL1 (0.45) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL11480822 0.66 KDM4E (0.53) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL2187719 0.66 NPC1 (0.38) ALOX5GAAALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467206-B1 Dicarboxylic acid imides, processes for their preparation and their use as herbicides BASF AG (DE) 1996-12-18 EP disclosed
EP-0467206-A2 Dicarboxylic acid imides, processes for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1992-01-22 EP disclosed