SCHEMBL31689795

SCHEMBL31689795

COc1cccc(C=Cc2cccc(OC)c2C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ CYP1A1 P04798 6/20 0.50
▸ CYP1A2 P05177 6/20 0.50
▸ CYP1B1 Q16678 6/20 0.50
▸ CYP19A1 P11511 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ TLR2 O60603 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ TLR1 Q15399 1/20 0.48
▸ TLR6 Q9Y2C9 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48

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
SCHEMBL31689790 1.00 NFE2L2 (0.55) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL24221027 0.85 NFE2L2 (0.73) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL18570324 0.84 CDK4 (0.50) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL17379744 0.84 NFE2L2 (0.46) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL25555199 0.84 NFE2L2 (0.46) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL13447647 0.84 TLR2 (0.47) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL738533 0.82 ERN1 (0.66) NFE2L2CYP1A2TLR2ERN1TLR1
SCHEMBL29954368 0.82 ERN1 (0.66) NFE2L2CYP1A2TLR2ERN1TLR1
SCHEMBL16961832 0.82 TLR2 (0.50) NFE2L2TRPA1ALOX5PTGS1PTGS2
SCHEMBL7990624 0.82 TLR2 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4624447-A1 METHODS OF MAKING AND USING 1-METHYLEFFUSOL Laboratory for Synthetic Chemistry and Chemical Biology Limited (HK) 2025-10-01 — — EP claimed
EP-4624447-A1 METHODS OF MAKING AND USING 1-METHYLEFFUSOL Laboratory for Synthetic Chemistry and Chemical Biology Limited (HK) 2025-10-01 — — EP disclosed
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