SCHEMBL22073091

SCHEMBL22073091

CO[C@@H]1C[C@@H](O)C[C@@H](COCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
DRD1 P21728 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
PDE4D Q08499 1/20 0.39
GJB2 P29033 1/20 0.39
PTPN1 P18031 2/20 0.38
CDC25B P30305 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTT P42858 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL21300587 0.83 LMNA (0.42) LMNADRD1HRH4HRH3PDE4D
SCHEMBL18666894 0.80 HRH4 (0.51) LMNADRD1HRH4HRH3PTPN1
SCHEMBL24679813 0.80 HRH4 (0.51) LMNADRD1HRH4HRH3PTPN1
SCHEMBL9843718 0.80 PDE4D (0.48) LMNADRD1PDE4DGJB2TAAR1
SCHEMBL22992300 0.80 PDE4D (0.48) LMNADRD1PDE4DGJB2TAAR1
SCHEMBL24681155 0.80 LMNA (0.44) LMNADRD1HRH4HRH3PDE4D
SCHEMBL7925903 0.80 LMNA (0.44) LMNADRD1HRH4HRH3PDE4D
SCHEMBL9844144 0.80 PDE4D (0.48) LMNADRD1PDE4DGJB2TAAR1
SCHEMBL10779215 0.77 TYMP (0.37)
SCHEMBL9646481 0.77 TYMP (0.37)

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
WO-2020114418-A1 ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2020-06-11 WO disclosed