SCHEMBL29613155

SCHEMBL29613155

O=C(O)c1c(O)c(Cl)cc(Br)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
TTR P02766 3/20 0.47
AKR1C2 P52895 5/20 0.42
AKR1C1 Q04828 5/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
DHODH Q02127 1/20 0.38
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 1/20 0.37
HSPA5 P11021 1/20 0.37
DAO P14920 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34

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
SCHEMBL17318738 1.00 DPP4 (0.50) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL17318739 0.86 TTR (0.48) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL28296608 0.86 DPP4 (0.52) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL20233406 0.86 DPP4 (0.52) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL30892251 0.86 TTR (0.48) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL19079894 0.82 HPGD (0.38) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL29396580 0.81 DPP4 (0.56) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL1229004 0.81 DPP4 (0.56) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL941588 0.79 DPP4 (0.54) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL940604 0.79 DPP4 (0.54) DPP4TTRAKR1C2AKR1C1AKR1C4

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 3 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-112299983-B 3, 6-Dichloro salicylic acid compounds and related methods of synthesis 孟山都技术公司 2024-05-17 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