SCHEMBL25713676

SCHEMBL25713676

C=CC(=O)OCCOCCOCCOc1ccc(-c2nc3ccccc3s2)cc1-c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 11/20 0.44
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
GLA P06280 3/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
HCRTR1 O43613 2/20 0.44
BLM P54132 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL25711510 0.89 THRB (0.44) MAPTKDM4EKMT2ANPC1GLA
SCHEMBL25713526 0.88 THRB (0.44) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL25713737 0.85 THRB (0.46) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL25713588 0.84 THRB (0.49) MAPTKDM4EKMT2ANPC1GLA
SCHEMBL25713690 0.84 KDM4E (0.51) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL25713895 0.81 THRB (0.40) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL18353826 0.81 PPARD (0.37) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL25713826 0.79 THRB (0.40) MAPTKDM4EKMT2ANPC1SMN1; SMN2
SCHEMBL22015453 0.79 MAPT (0.50) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL18353099 0.78 THRB (0.36) HDAC1HDAC2HDAC8HDAC6MAPT

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-2023120077-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-06-29 WO disclosed