Benzoquinone

Benzoquinone

SCHEMBL1665500

CCN(CC(O)CS(=O)(=O)O)c1cccc(C)c1.O=C1C=CC(=O)C=C1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.41
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 7/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL127387 0.94 GLA (0.44) GLAPER2CRY1CRY2POLB
SCHEMBL29742941 0.93 GLA (0.46) GLAPER2CRY1CRY2POLB
SCHEMBL246863 0.93 GLA (0.44) GLAPER2CRY1CRY2POLB
Water SCHEMBL22611645 0.91 GLA (0.43) GLAPER2CRY1CRY2POLB
Water SCHEMBL29402591 0.91 GLA (0.46) GLAPER2CRY1CRY2POLB
SCHEMBL3255714 0.90 GLA (0.42) GLAPER2CRY1CRY2POLB
SCHEMBL246864 0.81 GLA (0.43) GLAPER2CRY1CRY2POLB
SCHEMBL29394587 0.81 GLA (0.43) GLAPER2CRY1CRY2POLB
SCHEMBL242608 0.81 MEN1 (0.33) GLAPER2CRY1CRY2CYP2C19
Water SCHEMBL30327713 0.81 GLA (0.42) GLAPER2CRY1CRY2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306201-B1 Methods and compositions for assaying homocysteine GEN ATOMICS (US) 2014-10-08 EP disclosed
EP-1644741-B1 METHODS AND COMPOSITIONS FOR ASSAYING HOMOCYSTEINE GEN ATOMICS (US) 2011-08-31 EP disclosed
EP-2306201-A1 Methods and compositions for assaying homocysteine GENERAL ATOMICS (US) 2011-04-06 EP disclosed
EP-2235201-A1 METHODS AND COMPOSITIONS FOR ASSAYING HOMOCYSTEINE GENERAL ATOMICS (US) 2010-10-06 EP disclosed
WO-2009089106-A1 METHODS AND COMPOSITIONS FOR ASSAYING HOMOCYSTEINE GENERAL ATOMICS (US) 2009-07-16 WO disclosed
US-7097968-B2 Methods and compositions for assaying homocysteine GENERAL ATOMICS (US) 2006-08-29 US disclosed
US-20050009128-A1 Methods and compositions for assaying homocysteine DIAZYME LABORATORIES, INC. 2005-01-13 US disclosed