SCHEMBL436493

SCHEMBL436493

C=CCc1ccc(OC(C)=O)cc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
ACHE P22303 2/20 0.45
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CA12 O43570 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9490716 0.79 ALOX5 (0.63) ALOX5ACHEPTGS1KDM4ELMNA
SCHEMBL9748866 0.79 GABRA1 (0.54) ALOX5ACHEPTGS1KDM4ELMNA
SCHEMBL12093772 0.79 L3MBTL1 (0.42) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL12896000 0.78 PTGDR2 (0.45) ALOX5KDM4ELMNAMAPTALOX12
SCHEMBL17257811 0.77 ALOX5 (0.44) ALOX5ACHEPTGS1KDM4ELMNA
SCHEMBL9542567 0.77 ALOX5 (0.50) ALOX5ACHEPTGS1KDM4ELMNA
SCHEMBL9907323 0.76 KDM4E (0.43) KDM4ELMNAMAPTSMN1; SMN2ALOX12
SCHEMBL20803393 0.75 SMN1; SMN2 (0.50) KDM4ELMNAMAPTSMN1; SMN2ALOX12
SCHEMBL797506 0.75 SMN1; SMN2 (0.58) ALOX5ACHEPTGS1KDM4ELMNA
SCHEMBL2770358 0.74 KDM4E (0.55) KDM4ELMNAMAPTSMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089648-A1 BACH 1 INHIBITORS IN COMBINATION WITH NRF2 ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS THEREOF VTV THERAPEUTICS LLC (US) 2016-06-09 WO claimed
WO-2016089648-A1 BACH 1 INHIBITORS IN COMBINATION WITH NRF2 ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS THEREOF VTV THERAPEUTICS LLC (US) 2016-06-09 WO disclosed
EP-2961849-A2 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF The Broad Institute, Inc. (US) 2016-01-06 EP disclosed
WO-2014134351-A2 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2014-09-04 WO disclosed
WO-2012012498-A9 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-04-05 WO disclosed
WO-2012012498-A2 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-01-26 WO disclosed