SCHEMBL30716110

SCHEMBL30716110

O=c1[nH]cc(COO)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ DPYD Q12882 2/20 0.42
▸ ATAD2 Q6PL18 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL376391 0.80 ATAD2 (0.47) DPYDATAD2
SCHEMBL104123 0.79 DPYD (0.43) GAADPYDLMNA
SCHEMBL2028863 0.78 KDM4E (0.48) GAAATAD2ALDH1A1
SCHEMBL28636559 0.78 DPYD (0.42) GAADPYD
SCHEMBL4273200 0.77 ATAD2 (0.44) ATAD2ALDH1A1
SCHEMBL29756976 0.77 DPYD (0.43) DPYD
SCHEMBL7757615 0.77 GAA (0.40) GAADPYDATAD2
SCHEMBL5800398 0.76 — —
SCHEMBL17682900 0.76 ATAD2 (0.42) DPYDATAD2
Water SCHEMBL6482818 0.75 GAA (0.50) GAADPYDATAD2ALDH1A1LMNA

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-113492008-B Composite oil-soluble catalyst for coal tar slurry bed hydrogenation process and application thereof 中国石油大学(华东) 2024-01-16 — — CN disclosed
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