SCHEMBL28017694

SCHEMBL28017694

O=C(O)CCC(O)CNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
FOLH1 Q04609 7/20 0.55
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
SYK P43405 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.45
CPB1 P15086 1/20 0.45

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
SCHEMBL5019087 0.88 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL31628884 0.87 HTT (0.62) HTTFOLH1LMNASMN1; SMN2SLC1A3
SCHEMBL8779460 0.87 LMNA (0.54) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL16691249 0.87 LMNA (0.54) HTTFOLH1LMNASMN1; SMN2SLC1A3
SCHEMBL4923251 0.87 LMNA (0.54) HTTFOLH1LMNASMN1; SMN2SLC1A3
SCHEMBL16691163 0.87 LMNA (0.54) HTTFOLH1LMNASMN1; SMN2SLC1A3
SCHEMBL8779454 0.87 LMNA (0.54) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL12667027 0.86 LMNA (0.52) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL19390721 0.86 SMN1; SMN2 (0.52) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL28017164 0.85 HTT (0.48) HTTLMNASMN1; SMN2SYKALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104718190-B Pyridinone compounds for photodynamic therapy 埃克塞特大学 2017-03-08 CN disclosed
CN-104718190-A Pyridinone compounds for use in photodynamic therapy UNIV EXETER 2015-06-17 CN disclosed