SCHEMBL8398372

SCHEMBL8398372

COc1ccc(CO[C@@H]2[C@H](O)[C@H](C)OC(OC)[C@H]2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.42
SLC5A2 P31639 5/20 0.40
SLC5A1 P13866 3/20 0.40
GJB2 P29033 1/20 0.40
GJA1 P17302 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
LGALS3 P17931 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TACR1 P25103 1/20 0.36
CALM1 P0DP23 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL8401392 0.84 SMN1; SMN2 (0.43) LGALS8SLC5A2SLC5A1GJB2GJA1
SCHEMBL15953973 0.81 IDO1 (0.52) NPC1RAB9AIDO1AGXTCA1
SCHEMBL8006236 0.78 SLC5A1 (0.42) SLC5A2SLC5A1GJB2GJA1NPC1
SCHEMBL8008165 0.78 SLC5A1 (0.42) SLC5A2SLC5A1GJB2GJA1NPC1
SCHEMBL8006235 0.78 SLC5A1 (0.42) SLC5A2SLC5A1GJB2GJA1NPC1
SCHEMBL12157641 0.78 KMT2A (0.41) SLC5A2SLC5A1GJB2GJA1NPC1
SCHEMBL13869149 0.78 SSTR5 (0.48) LGALS8LGALS3
SCHEMBL8328990 0.78 SSTR5 (0.48) LGALS8LGALS3
SCHEMBL19226966 0.78 SSTR5 (0.48) LGALS8LGALS3
SCHEMBL8401405 0.77 SSTR1 (0.48) NPC1RAB9ATACR1

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed