SCHEMBL14478652

SCHEMBL14478652

OCC1O[C@@H](Nc2ccccc2)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
TSHR P16473 1/20 0.65
CA1 P00915 6/20 0.63
CA2 P00918 6/20 0.63
SLC5A2 P31639 1/20 0.53

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
SCHEMBL7152391 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL6675183 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL7153084 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL7151298 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL2573474 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL7150020 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL2573470 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL14353200 1.00 NPC1 (0.76) NPC1RAB9ATSHRCA1CA2
SCHEMBL6045363 0.98 NPC1 (0.74) NPC1RAB9ATSHRCA1CA2
SCHEMBL7152297 0.98 NPC1 (0.74) NPC1RAB9ATSHRCA1CA2

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
US-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed