SCHEMBL2456870

SCHEMBL2456870

O=C(O)C1CN(C(=O)O)CC(OCc2ccccc2)C1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
CTSV O60911 1/20 0.40
CTSS P25774 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
TACR1 P25103 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL28760418 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL18040923 0.83 BCHE (0.43) SMN1; SMN2NPC1RAB9ACTSLCTSB
SCHEMBL439043 0.83 GBA1 (0.44) SMN1; SMN2NPC1RAB9ACTSLCTSB
SCHEMBL441959 0.81 BCHE (0.42) CTSLCTSBCTSKCTSVCTSS
SCHEMBL28760417 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL439892 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL18580306 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACTSLCTSB
SCHEMBL25302878 0.77 TDP1 (0.40) SMN1; SMN2NPC1RAB9ACTSLCTSB
SCHEMBL21196194 0.77 CTSL (0.40) SMN1; SMN2NPC1RAB9ACTSLCTSB
SCHEMBL30379975 0.77 CTSL (0.40) SMN1; SMN2NPC1RAB9ACTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773854-B1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
EP-1773854-A2 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021653-A2 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed