SCHEMBL3676098

SCHEMBL3676098

CCc1c(O)cc(O)c(O)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
MAPK1 P28482 3/20 0.33
HTT P42858 2/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 5/20 0.32
TDP1 Q9NUW8 4/20 0.32
APEX1 P27695 3/20 0.32
MEN1 O00255 2/20 0.32
RAD52 P43351 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 2/20 0.32
TRPA1 O75762 1/20 0.32
GAPDH P04406 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL28124309 0.83 ALDH1A1 (0.42) MAPK1SELLSELPSELEHPGD
SCHEMBL9861229 0.83 ALOX15 (0.39) BACE1MAPK1HTTRECQLTDP1
SCHEMBL3962866 0.80 SELL (0.39) BACE1MAPK1HTTSELLSELP
SCHEMBL14686010 0.80 ACHE (0.37) BACE1MAPK1HTTNPC1HPGD
SCHEMBL28401269 0.80 HPGD (0.41) BACE1MAPK1HTTSELLSELP
SCHEMBL3807656 0.78 SELL (0.38) BACE1MAPK1HTTSELLSELP
SCHEMBL27539329 0.74 ALDH1A1 (0.38) MAPK1HTTSELLSELPSELE
SCHEMBL28122020 0.74 ALDH1A1 (0.42) MAPK1HTTSELLSELPSELE
SCHEMBL27690770 0.73 HPGD (0.35) BACE1MAPK1HTTSELLSELP
SCHEMBL3835890 0.72 GABRA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714064-B2 Controllable and rapid solubility rate of water-soluble polymeric films HARBIN LONGYI NEW MATERIAL TECHNOLOGY CO. LTD. (CN) 2010-05-11 US disclosed
US-20080097029-A1 CONTROLLABLE AND RAPID SOLUBILITY RATE OF WATER-SOLUBLE POLYMERIC FILMS HARBIN LONGYI NEW MATERIAL TECHNOLOGY CO. LTD. (CN) 2008-04-24 US disclosed
US-20040204543-A1 Controllable and rapid solubility rate of water-soluble polymeric films YANG THOMAS P (CA) 2004-10-14 US disclosed