SCHEMBL13515134

SCHEMBL13515134

CCOC(=O)c1sc(C(=O)OCC)c2c1OCCCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MC4R P32245 1/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
PRNP P04156 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13515153 0.97 KMT2A (0.46) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL1719912 0.93 GAA (0.49) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL14650157 0.87 ALDH1A1 (0.45) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL6314895 0.86 KMT2A (0.49) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL13515150 0.80 KMT2A (0.44) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL8539138 0.80 KMT2A (0.44) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL5730753 0.79 KMT2A (0.43) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL2926559 0.79 KMT2A (0.43) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL3283828 0.76 CASP3 (0.41) KMT2AHSD17B10GAAMAPTNPC1
SCHEMBL13515136 0.76 HTT (0.42) KMT2AHSD17B10GAAMAPTNPC1

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
EP-1461341-B1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS AGFA GEVAERT (BE) 2010-01-27 EP disclosed