SCHEMBL2581158

SCHEMBL2581158

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP1A2 P05177 3/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 8/20 0.39
GAA P10253 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 2/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MCL1 Q07820 1/20 0.35
F2 P00734 1/20 0.35

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
Bicarbonate SCHEMBL5013691 0.98 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL2590355 0.90 HPGD (0.44) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL15123721 0.90 HPGD (0.35) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL3836300 0.88 HSD17B10 (0.46) ALDH1A1HPGDHSD17B10CYP1A2THRB
Bicarbonate SCHEMBL637504 0.86 HSD17B10 (0.44) ALDH1A1HPGDHSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL2581160 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL9232567 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL15123720 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2THRB
Carbamic Acid SCHEMBL2590358 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2THRB
Bicarbonate SCHEMBL7463885 0.83 PARP1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011134674-A1 IMPROVED LIGHT DIFFUSING COMPOSITION STYRON EUROPE GMBH (CH) 2011-11-03 WO disclosed
US-20100186801-A1 PHOTOVOLTAIC MODULES WITH IMPROVED QUANTUM EFFICIENCY BASF SE (DE) 2010-07-29 US disclosed