SCHEMBL28520388

SCHEMBL28520388

Cc1cc(CO)c[n+](C(CC(=O)O)C(=O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL30323502 0.72 LMNA (0.49) LMNAHTTSMN1; SMN2
SCHEMBL13464630 0.70 ALDH1A1 (0.40) LMNAHTTSMN1; SMN2
SCHEMBL9509301 0.63 TDP1 (0.39) LMNAHTTSMN1; SMN2
SCHEMBL13700853 0.60 TDP1 (0.39) LMNASMN1; SMN2
SCHEMBL28870599 0.59 ALDH1A1 (0.39) LMNASLC7A5
SCHEMBL29157155 0.59 FFAR1 (0.46)
SCHEMBL1175637 0.58 TPMT (0.67) SMN1; SMN2SLC7A5
SCHEMBL32665666 0.58 TPMT (0.67) SMN1; SMN2SLC7A5
Malonic Acid SCHEMBL27771971 0.57 NPC1 (0.50) SMN1; SMN2
Glycolic Acid SCHEMBL9566912 0.57 TPMT (0.41) LMNAHTTSMN1; SMN2SLC7A5

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-109535127-B Rupatadine fumarate derivative, preparation method, intermediate and application thereof 杭州仟源保灵药业有限公司 2020-10-16 CN disclosed