SCHEMBL28016266

SCHEMBL28016266

CC(=O)C(C(=O)O)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
TPMT P51580 1/20 0.37
IGFBP3 P17936 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
FABP4 P15090 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
SRC P12931 2/20 0.32
SLC7A5 Q01650 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL6806673 0.89 KDM4E (0.42) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL14490811 0.89 ALDH1A1 (0.38) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL21268965 0.87 KDM4E (0.41) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL21269842 0.87 KDM4E (0.41) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL21269629 0.87 KDM4E (0.41) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL15841100 0.80 KDM4E (0.37) KDM4ETPMTIGFBP3ALDH1A1SLC6A2
SCHEMBL15757000 0.79 TAS1R3 (0.36) KDM4EALDH1A1SLC7A5
SCHEMBL6838455 0.78 ALDH1A1 (0.42) KDM4ETPMTIGFBP3ALDH1A1L3MBTL1
SCHEMBL6953631 0.77 TPMT (0.43) KDM4ETPMTALDH1A1HCAR1SRC
SCHEMBL6839567 0.76 ALDH1A1 (0.37) KDM4ETPMTIGFBP3ALDH1A1SLC6A2

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
CN-104797567-B Dihydropyrone compound and herbicide containing the same 住友化学株式会社 2017-06-20 CN disclosed
CN-104797567-A Dihydropyrone compound and herbicide containing the same SUMITOMO CHEMICAL CO 2015-07-22 CN disclosed