SCHEMBL13448174

SCHEMBL13448174

OCc1ccc(OCc2ccc(O)cc2)c(OCc2ccc(O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
BCHE P06276 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
TTR P02766 1/20 0.43
STAT3 P40763 1/20 0.43
APP P05067 1/20 0.43
HTT P42858 2/20 0.42
XBP1 P17861 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13448175 0.88 APP (0.53) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13448161 0.88 APP (0.53) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL30280404 0.87 SLC2A1 (0.56) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL584781 0.87 SLC2A1 (0.56) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13448124 0.87 SLC2A1 (0.47) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13448420 0.83 SLC2A1 (0.42) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13448207 0.83 SLC2A1 (0.52) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13448412 0.83 APP (0.47) SLC2A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13413505 0.82 NPC1 (0.57) NPC1RAB9APOLBSMN1; SMN2HPGD
SCHEMBL13448126 0.82 SLC2A1 (0.43) SLC2A1NPC1RAB9APOLBSMN1; SMN2

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-7671033-B2 Amphiphilic dendritic dipeptides and their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-02 US disclosed