SCHEMBL27834366

SCHEMBL27834366

CCc1cc(C)c(OC(C)=O)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
AKT1 P31749 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 4/20 0.37
ALOX5 P09917 2/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
DHFR P00374 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL21790823 0.92 HTT (0.43) HTTKDM4EHSD17B10GAATP53
SCHEMBL27852474 0.89 AKT1 (0.46) HTTKDM4EHSD17B10GAATP53
SCHEMBL24201855 0.88 HTT (0.40) HTTKDM4EHSD17B10GAATP53
SCHEMBL29232895 0.84 KDM4E (0.42) HTTKDM4EHSD17B10GAATP53
SCHEMBL28898701 0.84 ALOX5 (0.48) HTTKDM4EHSD17B10GAATP53
SCHEMBL3672142 0.84 KDM4E (0.44) HTTKDM4EHSD17B10GAATP53
SCHEMBL29232894 0.83 POLB (0.41) HTTKDM4EHSD17B10GAATP53
SCHEMBL27698991 0.81 KDM4E (0.41) HTTKDM4EHSD17B10GAATP53
SCHEMBL12012725 0.81 KDM4E (0.41) HTTKDM4EHSD17B10GAATP53
SCHEMBL19655521 0.80 POLB (0.40) HTTKDM4EHSD17B10GAATP53

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
CN-102014630-A Herbicidal composition comprising a pyridazinone compound with a specific herbicide and a specific safener SUMITOMO CHEMICAL CO 2011-04-13 CN disclosed