SCHEMBL17014665

SCHEMBL17014665

COc1cc(/C=C/C=C/C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.74
MMP9 P14780 3/20 0.74
MMP2 P08253 3/20 0.74
MMP8 P22894 2/20 0.74
CYP2D6 P10635 3/20 0.69
CYP1A2 P05177 2/20 0.69
ALOX5 P09917 2/20 0.69
HSD11B1 P28845 2/20 0.69
STAT3 P40763 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
NFE2L2 Q16236 2/20 0.69
MMP13 P45452 2/20 0.65
MAOB P27338 6/20 0.59
MAOA P21397 5/20 0.59
APP P05067 3/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL13324431 0.94 NFKB1 (0.83) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL29565653 0.90 CYP2D6 (0.85) NFKB1MMP9CYP2D6CYP1A2ALOX5
SCHEMBL3294805 0.90 CYP2D6 (0.85) NFKB1MMP9CYP2D6CYP1A2ALOX5
SCHEMBL3294809 0.90 CYP2D6 (0.85) NFKB1MMP9CYP2D6CYP1A2ALOX5
SCHEMBL4544307 0.86 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL11928819 0.86 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL13446382 0.86 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL15581510 0.85 NFKB1 (0.72) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL10077702 0.85 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL13125782 0.85 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6

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
US-20150232642-A1 POLYMERIC NANOPARTICLES COMPRISING TURMERIC XEROX CORPORATION (US) 2015-08-20 US disclosed