SCHEMBL15123721

SCHEMBL15123721

NC(=O)OC(=O)OC(=O)OC(=O)O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 6/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
MCL1 Q07820 1/20 0.32
GRIN2D O15399 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
SCHEMBL2592020 0.91 ALDH1A1 (0.41) HPGDALDH1A1HSD17B10CYP1A2THRB
SCHEMBL2581158 0.90 ALDH1A1 (0.40) HPGDALDH1A1HSD17B10CYP1A2THRB
Bicarbonate SCHEMBL5013691 0.88 ALDH1A1 (0.39) HPGDALDH1A1HSD17B10CYP1A2THRB
SCHEMBL2590355 0.84 HPGD (0.44) HPGDALDH1A1HSD17B10CYP1A2THRB
SCHEMBL3836300 0.82 HSD17B10 (0.46) HPGDALDH1A1HSD17B10CYP1A2THRB
Bicarbonate SCHEMBL637504 0.80 HSD17B10 (0.44) HPGDALDH1A1HSD17B10CYP1A2THRB
SCHEMBL1127958 0.78 ALDH1A1 (0.36) HPGDALDH1A1HSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL2581160 0.78 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL15123720 0.78 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL9232567 0.78 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10CYP1A2THRB

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-20130189610-A1 SHORT WAVELENGTH PHOTOCONDUCTIVE MEMBERS XEROX CORPORATION (US) 2013-07-25 US claimed
US-20130189610-A1 SHORT WAVELENGTH PHOTOCONDUCTIVE MEMBERS XEROX CORPORATION (US) 2013-07-25 US disclosed
US-20130189610-A1 SHORT WAVELENGTH PHOTOCONDUCTIVE MEMBERS XEROX CORPORATION (US) 2013-07-25 US disclosed