SCHEMBL9526205

SCHEMBL9526205

COc1cccc2c1O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
NR3C1 P04150 1/20 0.38
PTPN1 P18031 1/20 0.38
TYR P14679 1/20 0.38

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
SCHEMBL4224612 0.83 HPGD (0.40) DPP4KDM4EALDH1A1HPGDHTR1A
SCHEMBL9525389 0.77 MAP3K14 (0.35) DPP4KDM4EALDH1A1HPGD
SCHEMBL8593528 0.75 ADRA1D (0.58) KDM4EALDH1A1HPGDHTR1AADRA1D
SCHEMBL7464571 0.75 ADRA1D (0.58) KDM4EALDH1A1HPGDHTR1AADRA1D
SCHEMBL7464563 0.75 ADRA1D (0.58) KDM4EALDH1A1HPGDHTR1AADRA1D
SCHEMBL30705312 0.74 HPGD (0.40) KDM4EALDH1A1HPGDADRA1DADRA1A
SCHEMBL9481539 0.74 CA2 (0.38) HPGDADRA1DADRA1AADRA1B
SCHEMBL9526092 0.74 AHR (0.41) ADRA1DADRA1AADRA1B
SCHEMBL9482152 0.74 CA2 (0.38) HPGDADRA1DADRA1AADRA1B
SCHEMBL1292099 0.72 POLB (0.45) KDM4EALDH1A1HPGDHTR1AADRA1D

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
EP-0359290-B1 AROMATIC DIOLS GLAXO GROUP LIMITED (GB) 1993-08-04 EP disclosed