SCHEMBL26022019

SCHEMBL26022019

COc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.67
TRPA1 O75762 1/20 0.67
CYP1A1 P04798 6/20 0.60
CYP1A2 P05177 6/20 0.60
CYP1B1 Q16678 6/20 0.60
CYP19A1 P11511 2/20 0.59
ALOX5 P09917 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
KDM4E B2RXH2 2/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TFEB P19484 1/20 0.46

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
SCHEMBL178754 0.92 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL29547034 0.92 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL553331 0.92 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL6479515 0.86 RAB9A (0.61) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL6479514 0.86 RAB9A (0.61) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168170 0.86 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168164 0.86 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL28715871 0.83 NFE2L2 (0.76) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL713258 0.81 NFE2L2 (1.00) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL713256 0.81 NFE2L2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156222-A1 POLYMERIC STABILIZERS BASED ON METHOXY-HYDROXY BENZOIC ACIDS, PLASTIC COMPOSITION, METHOD FOR STABILIZING A PLASTIC COMPOSITION, AND STABILIZER COMPOSITION Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-08-24 WO disclosed