SCHEMBL29181700

SCHEMBL29181700

O=C(O)c1c(Cl)ccc(F)c1Cl.[KH]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.38
TSHR P16473 4/20 0.38
SLC2A1 P11166 1/20 0.37
ALOX15 P16050 1/20 0.37
RPA1 P27694 1/20 0.37
GAA P10253 4/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
CLCN2 P51788 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
PBRM1 Q86U86 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
SCHEMBL1358784 0.98 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10TP53
Potassium SCHEMBL30811378 0.96 DPP4 (0.52) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL2334297 0.85 DPP4 (0.41) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL28579723 0.83 DPP4 (0.40) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL17333135 0.82 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL24456032 0.81 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL8675762 0.81 ALDH1A1 (0.52) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL7820374 0.81 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL27890869 0.81 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10TP53
2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 0.80 DPP4 (0.62) DPP4ALDH1A1KDM4EHSD17B10TP53

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-117486674-A Comprehensive utilization method of 2, 4-dichloro-5-fluoroacetophenone crystallization mother liquor 浙江工业大学 2024-02-02 CN claimed
CN-117486674-A Comprehensive utilization method of 2, 4-dichloro-5-fluoroacetophenone crystallization mother liquor 浙江工业大学 2024-02-02 CN disclosed