SCHEMBL30534773

SCHEMBL30534773

O=c1[nH]cc(C2COCO2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL3561548 0.69 DPYD (0.45) DPYDMAPTGAAALDH1A1ATAD2
SCHEMBL20846874 0.68 GAA (0.38) DPYDMAPTGAAALDH1A1ATAD2
SCHEMBL7758271 0.66 GAA (0.47) DPYDMAPTGAAALDH1A1ATAD2
SCHEMBL17687568 0.65 GAA (0.50) DPYDMAPTGAAALDH1A1ATAD2
SCHEMBL2641583 0.64 TK1 (0.41) LMNATSHRPMP22SMN1; SMN2
SCHEMBL21277502 0.64 GAA (0.37) DPYDMAPTGAAALDH1A1ATAD2
SCHEMBL12642442 0.64 TK1 (0.41) LMNATSHRPMP22SMN1; SMN2
SCHEMBL16807760 0.63 ATAD2 (0.37) DPYDGAAATAD2
SCHEMBL28511491 0.60 MAPT (0.38) DPYDMAPTGAAALDH1A1ATAD2
Thymine SCHEMBL211722 0.60 ATAD2 (0.70) DPYDMAPTGAAALDH1A1ATAD2

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-116554249-A Antiviral compounds and uses thereof 北京恩泰伟医药科技有限公司 2023-08-08 — — CN disclosed
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