SCHEMBL28299440

SCHEMBL28299440

O=C(O)c1c(Cl)ccc(Cl)c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.40
PBRM1 Q86U86 1/20 0.38
SRD5A2 P31213 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL18797747 0.83 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7014413 0.83 DPP4 (0.45) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8224441 0.83 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL486824 0.82 DPP4 (0.71) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28737172 0.79 DPP4 (0.68) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL16702731 0.79 DPP4 (0.68) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28777916 0.78 ALDH1A1 (0.58) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL3836851 0.77 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL20298730 0.77 TDP1 (0.47) DPP4ALDH1A1KDM4ETSHRCA1
SCHEMBL31652996 0.76 DPP4 (0.69) DPP4ALDH1A1KDM4EHSD17B10TSHR

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-109761788-A The preparation method of the bromo- 3,6- dichlorobenzoic acid of 2- and the preparation method of dicamba 山东润博生物科技有限公司 2019-05-17 CN claimed
CN-109761788-A The preparation method of the bromo- 3,6- dichlorobenzoic acid of 2- and the preparation method of dicamba 山东润博生物科技有限公司 2019-05-17 CN disclosed
CN-109761788-A The preparation method of the bromo- 3,6- dichlorobenzoic acid of 2- and the preparation method of dicamba 山东润博生物科技有限公司 2019-05-17 CN disclosed