SCHEMBL4083951

SCHEMBL4083951

CCN1C(C)=C(C(=O)O)C(CC)(c2ccccc2-c2ccc(NS(C)(=O)=O)cc2)C(C(=O)O)=C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
PTGS2 P35354 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR3C2 P08235 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KEAP1 Q14145 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3395257 0.72 MEN1 (0.41) HPGDKDM4EALDH1A1HSD17B10NPSR1
SCHEMBL4758299 0.71 LMNA (0.42) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL30678530 0.70 TSHR (0.39) KDM4EALDH1A1GAAHSD17B10LMNA
SCHEMBL873846 0.63 KEAP1 (0.75) IKBKBCHUKHPGDKDM4EPTGS2
SCHEMBL4639252 0.63 NOTUM (0.55) IKBKBCHUKHPGDKDM4EALDH1A1
SCHEMBL28201767 0.63 CHUK (0.64) IKBKBCHUKHPGDKDM4EALDH1A1
SCHEMBL29788170 0.62 GRIA4 (0.55) IKBKBCHUKHPGDKDM4EPTGS2
SCHEMBL2044935 0.61 KIF11 (0.59) HPGDKDM4EPTGS2ALDH1A1NR3C2
SCHEMBL28319287 0.61 KEAP1 (0.70) HPGDKDM4EPTGS2ALDH1A1NR3C2
SCHEMBL8796720 0.61 ADH5 (0.51) IKBKBCHUKHPGDKDM4EPTGS2

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-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed