SCHEMBL29495000

SCHEMBL29495000

COc1ccc(Cl)c(OC)c1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
KDM4E B2RXH2 1/20 0.76
HSD17B10 Q99714 1/20 0.76
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 6/20 0.45
TAS1R1 Q7RTX1 6/20 0.45
TAS1R2 Q8TE23 4/20 0.45
FABP4 P15090 1/20 0.43
CLCN2 P51788 1/20 0.43
TPMT P51580 2/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL3527405 1.00 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL29539000 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL18336 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL1932787 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL14416606 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL11165767 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL1702321 0.85 ALDH1A1 (0.96) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL1682195 0.85 ALDH1A1 (0.96) ALDH1A1KDM4EHSD17B10CA12CA1
3,6 Dichloromethoxybenzoic Acid SCHEMBL2369132 0.85 ALDH1A1 (0.96) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL3057430 0.85 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115361868-A High-load solution concentrates of dicamba 巴斯夫公司 2022-11-18 CN claimed
EP-4132274-A1 HIGH-LOAD SOLUTION CONCENTRATES OF DICAMBA BASF Corporation (US) 2023-02-15 EP disclosed
EP-4125365-A1 AQUEOUS FORMULATIONS OF DICAMBA BASF Corporation (US) 2023-02-08 EP disclosed
CN-115361868-A High-load solution concentrates of dicamba 巴斯夫公司 2022-11-18 CN disclosed
CN-112573978-B High-efficiency halogenation synthesis method of aryl halide 北京大学 2022-05-13 CN disclosed
CN-114302725-A Oral administration combination of beta lactam antibiotic and avibactam derivative for the treatment of bacterial infections 阿里萨制药公司 2022-04-08 CN disclosed