SCHEMBL30853963

SCHEMBL30853963

Nc1c(C(=O)O)cccc1C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
UMPS P11172 2/20 0.45
ATIC P31939 1/20 0.42
LDHA P00338 2/20 0.41
P2RY2 P41231 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
P2RY4 P51582 1/20 0.40
EIF4E P06730 2/20 0.40
DNPH1 O43598 2/20 0.39
PRKAB2 O43741 1/20 0.39
TRPM2 O94759 1/20 0.39
ADRB2 P07550 1/20 0.39
SRC P12931 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RY1 P47900 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
Phosphoric Acid SCHEMBL27486572 0.84 SLC5A2 (0.40) SMN1; SMN2
SCHEMBL16021023 0.74 FBP1 (0.57) FBP1UMPSATICLDHAP2RY2
SCHEMBL16018856 0.74 FBP1 (0.57) FBP1UMPSATICLDHAP2RY2
SCHEMBL769912 0.72 FBP1 (0.48) FBP1ATICLDHAP2RY2SIRT2
SCHEMBL14742691 0.72 FBP1 (0.48) FBP1ATICLDHAP2RY2SIRT2
SCHEMBL29508765 0.72 FBP1 (0.48) FBP1ATICLDHAP2RY2SIRT2
Phosphoribosyl Pyrophosphate SCHEMBL9488653 0.72 P2RY2 (0.43) FBP1P2RY2SIRT2SIRT1P2RY4
SCHEMBL29930456 0.71 SLC5A2 (0.38)
SCHEMBL10775311 0.70 UMPS (0.50) FBP1UMPSATICEIF4EDNPH1
SCHEMBL31338633 0.70 FBP1 (0.48) FBP1UMPSATICLDHAP2RY2

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-117651544-A Synergistic effect of dicaffeoylquinic acid and tocopherol 西姆莱斯有限公司 2024-03-05 CN disclosed