SCHEMBL29613143

SCHEMBL29613143

COC(=O)c1c(Cl)ccc(Cl)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ TSHR P16473 2/20 0.65
▸ TAS1R3 Q7RTX0 7/20 0.62
▸ TAS1R1 Q7RTX1 7/20 0.62
▸ TAS1R2 Q8TE23 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR4A2 P43354 1/20 0.41
▸ GAA P10253 2/20 0.41

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
SCHEMBL162688 1.00 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL30831899 0.88 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL16047856 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL8417269 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL21318213 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL29786135 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL30831886 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL29786169 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL24025594 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL3266726 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TSHRTAS1R3

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-114163325-B Method for synthesizing dicamba by using continuous flow reactor 江苏优嘉植物保护有限公司 2024-06-28 — — CN disclosed
CN-114163325-A Method for synthesizing dicamba by using continuous flow reactor 江苏优嘉植物保护有限公司 2022-03-11 — — CN disclosed
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