SCHEMBL30801101

SCHEMBL30801101

O=C1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.42
TACR2 P21452 3/20 0.42
NT5E P21589 1/20 0.42
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CTRB1 P17538 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FASN P49327 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7525585 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL14571363 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL13591463 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL3304205 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL18497676 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL18852561 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL7522263 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL12896359 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL22796970 1.00 BCHE (0.54) BCHEACHELMNAHTR1ATACR2
SCHEMBL1087871 0.96 BCHE (0.56) BCHEACHELMNAHTR1ATACR2

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-117451879-A Method for detecting D-ribose and isomer impurities thereof 南京正济医药研究有限公司 2024-01-26 CN disclosed