SCHEMBL9958093

SCHEMBL9958093

COc1cc(C=CC(=O)Cl)ccc1OCC=C(C)C

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.79
MTNR1A P48039 2/20 0.69
TRPA1 O75762 1/20 0.69
ALOX5 P09917 1/20 0.65
FDPS P14324 2/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
APP P05067 3/20 0.55
SNCA P37840 1/20 0.55
NFE2L2 Q16236 1/20 0.55

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
SCHEMBL3208260 0.90 PTGES (0.83) PTGESMTNR1ATRPA1ALOX5FDPS
SCHEMBL3208266 0.90 PTGES (0.83) PTGESMTNR1ATRPA1ALOX5FDPS
Boropinic Acid SCHEMBL16792175 0.88 PTGES (0.81) PTGESMTNR1ATRPA1ALOX5FDPS
SCHEMBL16692678 0.86 PTGES (0.77) PTGESMTNR1ATRPA1ALOX5FDPS
SCHEMBL18010087 0.86 PTGES (0.77) PTGESMTNR1ATRPA1ALOX5FDPS
SCHEMBL18292840 0.85 PTGES (0.76) PTGESMTNR1ATRPA1ALOX5FDPS
SCHEMBL25262773 0.84 APP (0.64) PTGESFDPSHDAC1HDAC2HDAC8
SCHEMBL29503043 0.83 KDM4E (0.73) FDPSNFE2L2
SCHEMBL1589618 0.83 KDM4E (0.73) FDPSNFE2L2
SCHEMBL1589619 0.83 KDM4E (0.73) FDPSNFE2L2

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-2468741-A1 Novel quercetin derivatives, their preparation, pharmaceutical compositions containing them and their use Bel/Novamann International s.r.o. (SK) 2012-06-27 EP disclosed