SCHEMBL2228043

SCHEMBL2228043

CCc1c(CNCc2cc(O)c(O)c(O)c2)c(CC)c(CNCc2cc(O)c(O)c(O)c2)c(CC)c1CNCc1cc(O)c(O)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
GSR P00390 2/20 0.35
IGF1R P08069 3/20 0.33
SELL P14151 2/20 0.33
SELP P16109 2/20 0.33
SELE P16581 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C9 P11712 1/20 0.32
APAF1 O14727 1/20 0.31

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
SCHEMBL31542040 0.79 GSR (0.39) TRPA1GSRIGF1RSELLSELP
SCHEMBL23750505 0.76 GSR (0.44) GSRIGF1RSELLSELPSELE
SCHEMBL1173818 0.71 TRPA1 (0.56) TRPA1SELLSELPSELEHPGD
SCHEMBL2226886 0.69 PTGS2 (0.58) MEN1GAAKMT2AALDH1A1POLB
SCHEMBL2233917 0.69 KDM4E (0.52) SELLSELPHPGDMAPK1LMNA
SCHEMBL23750511 0.67 LMNA (0.39) IGF1RSELLSELPSELEHPGD
SCHEMBL1179394 0.65 TRPA1 (0.54) TRPA1IGF1RHPGDMAPK1NPC1
SCHEMBL3962866 0.65 SELL (0.39) TRPA1SELLSELPSELEHPGD
SCHEMBL22249384 0.64 MAPT (0.41) SELLSELPSELEHPGDMAPK1
SCHEMBL28401269 0.64 HPGD (0.41) TRPA1SELLSELPSELEHPGD

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
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO disclosed