SCHEMBL9399377

SCHEMBL9399377

OC[C@H]1O[C@@H](Nc2ccccc2)[C@@](O)(c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37
NPY2R P49146 1/20 0.37
SLC29A1 Q99808 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
SLC5A2 P31639 1/20 0.36
CA1 P00915 6/20 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
SCHEMBL29131407 0.79 SLC5A2 (0.42) SLC5A2PYGL
SCHEMBL9500829 0.79 SLC5A2 (0.42) SLC5A2PYGL
SCHEMBL7151149 0.72 NPC1 (0.74) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL7152297 0.72 NPC1 (0.74) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL6045363 0.72 NPC1 (0.74) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL9953680 0.72 NPC1 (0.74) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL2573470 0.71 NPC1 (0.76) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL2573474 0.71 NPC1 (0.76) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL14478652 0.71 NPC1 (0.76) NPC1RAB9ATSHRSLC5A2CA1
SCHEMBL14353200 0.71 NPC1 (0.76) NPC1RAB9ATSHRSLC5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362480-A Microbiocides LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-11-08 US disclosed
EP-0550099-A1 Oral hygiene compositions containing amino sugars as antiplaque agents UNILEVER N.V. (NL) 1993-07-07 EP disclosed