SCHEMBL28587727

SCHEMBL28587727

O=C(O)[C@H](O)c1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
NR1I2 O75469 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 1/20 0.38
IGFBP3 P17936 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
PMP22 Q01453 2/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL28587728 1.00 BLM (0.53) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL30811107 1.00 BLM (0.53) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL6680302 0.86 LMNA (0.45) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL6675636 0.86 LMNA (0.45) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL6675632 0.86 LMNA (0.45) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL43826 0.77 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL29881886 0.77 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL10085813 0.77 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL43825 0.77 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL29935536 0.77 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113355299-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2022-05-24 CN claimed
CN-113355299-A Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN claimed
CN-113355367-A Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN claimed
CN-108410831-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-07-27 CN claimed
CN-108410831-A Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2018-08-17 CN claimed
CN-113355367-B Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2024-03-26 CN disclosed
CN-113355299-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2022-05-24 CN disclosed
CN-113355299-A Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN disclosed
CN-113355367-A Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-09-07 CN disclosed
CN-108410831-B Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid 浙江工业大学 2021-07-27 CN disclosed