SCHEMBL22073087

SCHEMBL22073087

N=C(OC1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
NT5E P21589 1/20 0.40
PDE4D Q08499 1/20 0.39
HTR1A P08908 1/20 0.36
GJB2 P29033 2/20 0.36
LMNA P02545 1/20 0.35
DRD1 P21728 1/20 0.34
PTPN1 P18031 2/20 0.33
CDC25B P30305 2/20 0.33
SLC6A2 P23975 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL402676 0.82 LMNA (0.34) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25101131 0.81 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21774388 0.81 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19204220 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2989107 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6574752 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14616676 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10259814 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13129824 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6895176 0.81 NT5E (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5

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