SCHEMBL4077896

SCHEMBL4077896

OC[C@@H](O)[C@@H](O)[C@@](O)(c1ccccc1)[C@@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
GRIN2D O15399 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN2B Q13224 2/20 0.32
TTR P02766 1/20 0.32
KIF11 P52732 2/20 0.31
CHRM2 P08172 2/20 0.31

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
SCHEMBL4774917 0.88 CYP2C19 (0.35) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL465453 0.76 CYP2C19 (0.39) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL27847938 0.76 TRPA1 (0.37) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL27847935 0.76 TRPA1 (0.37) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL6671847 0.75 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL27906586 0.74 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL3887213 0.74 CYP2C19 (0.40) CYP2C19CYP1A2CYP2C9TRPA1KDM4E
SCHEMBL28181064 0.73 MEN1 (0.37) CYP2C19CYP1A2CYP2C9TRPA1ALDH1A1
SCHEMBL28232034 0.71 KDM4E (0.38) TRPA1KDM4EALDH1A1LMNAHIF1A
SCHEMBL30748517 0.71 AOC3 (0.34) TRPA1KDM4EALDH1A1LMNAMAPK1

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
EP-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP claimed
JP-2009120553-A THERAPEUTIC AGENT FOR DIABETES CONTAINING C-PHENYL GLUCITOL COMPOUND AS EFFECTIVE INGREDIENT TAISHO PHARMACEUTICAL CO LTD 2009-06-04 JP disclosed