SCHEMBL103244

SCHEMBL103244

COc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3CO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.59
TRPA1 O75762 1/20 0.59
CYP1A1 P04798 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP1B1 Q16678 5/20 0.55
CYP19A1 P11511 2/20 0.54
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TFEB P19484 1/20 0.45
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
CHAT P28329 1/20 0.42

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
SCHEMBL29547034 0.86 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL178754 0.86 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL553331 0.86 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168170 0.81 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168164 0.81 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL26022019 0.79 NFE2L2 (0.67) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL17691543 0.77 NFE2L2 (0.80) NFE2L2CYP1A1CYP1A2CYP1B1TFEB
SCHEMBL9388884 0.77 CYP1A1 (0.57) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9388886 0.77 CYP1A1 (0.57) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL633823 0.77 NFE2L2 (0.73) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1

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
US-20240025197-A1 THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2024-01-25 US disclosed
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed