SCHEMBL20188579

SCHEMBL20188579

COc1ccc(COC2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]2N=[N+]=[N-])cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC5A2 P31639 9/20 0.42
▸ SLC5A1 P13866 7/20 0.42
▸ LGALS8 O00214 1/20 0.39
▸ CD209 Q9NNX6 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
SCHEMBL20191053 1.00 NPC1 (0.42) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL16673131 0.86 TYR (0.44) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL16693134 0.86 TYR (0.44) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL18022564 0.86 TYR (0.44) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL16673129 0.86 TYR (0.44) NPC1RAB9ASLC5A2SLC5A1LGALS8
SCHEMBL18676120 0.80 SLC5A2 (0.36) NPC1RAB9ASLC5A2SLC5A1
SCHEMBL25433227 0.79 SLC6A2 (0.48) SLC5A2LGALS8
SCHEMBL18173942 0.79 SLC6A2 (0.48) SLC5A2LGALS8
SCHEMBL25385504 0.79 SLC6A2 (0.48) SLC5A2LGALS8
SCHEMBL18173960 0.79 SLC6A2 (0.48) SLC5A2LGALS8

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-2018098342-A1 N-ACETYLATED SIALIC ACIDS AND RELATED SIALOSIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 — — WO disclosed
Send feedback