SCHEMBL28839423

SCHEMBL28839423

C=CC(=O)Oc1cc2cccc3c2c(c1NC(C)=O)C(=O)NC3=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CASP3 P42574 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TYMS P04818 1/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ PKM P14618 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PARG Q86W56 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 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
SCHEMBL28839378 0.80 KDM4E (0.45) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL28839464 0.79 KDM4E (0.55) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL7645289 0.73 TYMS (0.46) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL28839422 0.72 ALDH1A1 (0.56) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL28839383 0.70 PARP1 (0.40) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL28839388 0.69 CASP3 (0.40) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8080579 0.66 GAA (0.43) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8094185 0.66 NPSR1 (0.48) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL1052126 0.65 PARP1 (0.56) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL28108469 0.65 PARP1 (0.51) ALDH1A1GAAKDM4EHPGDHSD17B10

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-115073860-A High-thermal-stability functionalized graphene-polyvinyl chloride cable material and preparation method thereof 扬州实嘉电缆材料有限公司 2022-09-20 — — CN disclosed
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