SCHEMBL2910901

SCHEMBL2910901

COc1cc(C=CC(=O)C([C]=O)=Cc2ccc(O)cc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.73
GLO1 Q04760 4/20 0.63
ABL1 P00519 1/20 0.63
ABCB1 P08183 2/20 0.62
AKR1B1 P15121 2/20 0.62
MAOA P21397 2/20 0.62
MAOB P27338 2/20 0.62
IKBKB O14920 1/20 0.59
CHUK O15111 1/20 0.59
IKBKG Q9Y6K9 1/20 0.59
NFKB1 P19838 4/20 0.59
CYP2D6 P10635 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX5 P09917 2/20 0.59
HSD11B1 P28845 2/20 0.59
STAT3 P40763 2/20 0.59
NFE2L2 Q16236 2/20 0.59
KDM1A O60341 2/20 0.58

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
SCHEMBL79945 0.94 GLO1 (0.71) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL2403631 0.90 GLO1 (0.67) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL7194289 0.81 SNCA (0.88) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL17019805 0.79 CYP2D6 (0.88) SNCAGLO1ABL1ABCB1AKR1B1
Ferulate SCHEMBL5189434 0.79 SNCA (0.91) SNCAGLO1ABL1ABCB1AKR1B1
Ferulate SCHEMBL31310232 0.79 SNCA (0.91) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL29642906 0.79 CYP2D6 (0.77) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL31621191 0.79 CYP2D6 (0.77) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL29711883 0.78 GLO1 (0.67) SNCAGLO1ABL1ABCB1AKR1B1
SCHEMBL15228430 0.78 MAPT (0.68) SNCAGLO1ABL1ABCB1AKR1B1

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
EP-2195421-B1 POLYPEPTIDES HAVING ACETYLXYLAN ESTERASE ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES AS (DK) 2015-09-16 EP disclosed
EP-2224822-A1 POLYPEPTIDES HAVING ACETYLXYLAN ESTERASE ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2010-09-08 EP disclosed
WO-2009073709-A1 POLYPEPTIDES HAVING ACETYLXYLAN ESTERASE ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2009-06-11 WO disclosed