SCHEMBL28296608

SCHEMBL28296608

O=C(O)c1c(Cl)cc(Br)c(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
TTR P02766 2/20 0.43
AKR1C2 P52895 4/20 0.39
AKR1C1 Q04828 4/20 0.39
AKR1C4 P17516 3/20 0.39
AKR1C3 P42330 3/20 0.39
PTPN1 P18031 2/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
DHODH Q02127 1/20 0.36
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GPR35 Q9HC97 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 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
SCHEMBL29613155 0.86 DPP4 (0.50) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL17318738 0.86 DPP4 (0.50) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL1660217 0.83 HPGD (0.56) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL28820922 0.81 DPP4 (0.39) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL20233406 0.79 DPP4 (0.52) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL17318739 0.79 TTR (0.48) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL30892251 0.79 TTR (0.48) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL14059696 0.76 GAA (0.40) DPP4TTRHSD17B10TSHRKDM4E
SCHEMBL17274236 0.76 TTR (0.45) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL31652996 0.75 DPP4 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761758-A A kind of synthetic method of 3,6- dichlorosalicylic acid 山东润博生物科技有限公司 2019-05-17 CN disclosed