SCHEMBL29613154

SCHEMBL29613154

CC(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.67
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
RECQL P46063 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 3/20 0.53
TBXAS1 P24557 2/20 0.53
MAPK14 Q16539 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
STK39 Q9UEW8 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ERN1 O75460 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL659333 1.00 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL11332675 0.89 AKR1C4 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL12316474 0.83 KDM4E (0.46) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL4127393 0.83 AKR1C2 (0.45) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL11712068 0.81 AKR1C2 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1MAPK1
SCHEMBL6175638 0.81 AKR1C2 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29495446 0.81 BCL2L1 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL10469179 0.81 BCL2L1 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL184603 0.80 AKR1C2 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL4891035 0.80 AKR1C4 (0.69) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1

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