SCHEMBL9399387

SCHEMBL9399387

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PYGL P06737 1/20 0.41
HRAS P01112 1/20 0.40
SLC5A2 P31639 4/20 0.39
MMP12 P39900 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL9194230 0.69 MMP12 (0.47) HRASMMP12
SCHEMBL29690112 0.69 MMP12 (0.41) NPC1RAB9AHRASSLC5A2MMP12
SCHEMBL16501359 0.69 MMP12 (0.41) NPC1RAB9AHRASSLC5A2MMP12
SCHEMBL28188095 0.68 SLC5A2 (0.35) NPC1RAB9AHRASSLC5A2MMP12
SCHEMBL9399374 0.67 RAB9A (0.71) NPC1RAB9ASLC5A2ADORA3ADORA2A
SCHEMBL20212340 0.64 LGALS3 (0.50)
SCHEMBL13501682 0.64 SLC5A2 (0.73) SLC5A2
SCHEMBL14949090 0.64 SLC5A2 (0.73) SLC5A2
SCHEMBL8984696 0.64 SLC5A2 (0.73) SLC5A2
SCHEMBL147044 0.64 SLC5A2 (0.73) SLC5A2

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