2-Allylphenol

2-Allylphenol

SCHEMBL6561424

C=CCc1ccccc1O.CC(C)(C)c1ccc(O)cc1

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
KEAP1 Q14145 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 2/20 0.40
AKR1B1 P15121 1/20 0.39
ESRRG P62508 3/20 0.37
HSPA5 P11021 1/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
2-Allylphenol SCHEMBL9645951 0.82 MAPT (0.47) KEAP1GABRA1GABRB2AKR1B1HSPA5
2-Allylphenol SCHEMBL11838946 0.81 GABRA1 (0.50) KEAP1GABRA1GABRB2ALDH1A1CYP2D6
2-Allylphenol SCHEMBL3810253 0.81 GABRA1 (0.50) KEAP1GABRA1GABRB2ALDH1A1CYP2D6
2-Allylphenol SCHEMBL29272030 0.81 GABRA1 (0.53) GABRA1GABRB2ALDH1A1CYP2D6AKR1B1
2-Allylphenol SCHEMBL29381085 0.81 GABRA1 (0.57) GABRA1GABRB2CYP2D6AKR1B1HSPA5
2-Allylphenol SCHEMBL31591833 0.81 GABRA1 (0.57) GABRA1GABRB2CYP2D6AKR1B1HSPA5
2-Allylphenol SCHEMBL160157 0.81 GABRA1 (0.57) GABRA1GABRB2CYP2D6AKR1B1HSPA5
2-Allylphenol SCHEMBL5489147 0.81 GABRA1 (0.57) GABRA1GABRB2CYP2D6AKR1B1HSPA5
2-Allylphenol SCHEMBL10901820 0.81 TSHR (0.60) GABRA1GABRB2ALDH1A1CYP2D6AKR1B1
Chavicol SCHEMBL3487733 0.80 KEAP1 (0.56) KEAP1GABRA1GABRB2CYP3A4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218436-B1 CONTAINERS MADE OF A BRANCHED POLYCARBONATE BAYER MATERIALSCIENCE AG (DE) 2004-03-17 EP claimed
EP-1218436-A1 CONTAINERS MADE OF A BRANCHED POLYCARBONATE Bayer Aktiengesellschaft (DE) 2002-07-03 EP claimed
EP-0856504-B1 Process for producing 3,3',5,5'-tetra-t-butylbiphenol HONSHU CHEMICAL IND (JP) 2001-11-07 EP claimed
WO-2001019892-A1 CONTAINERS MADE OF A BRANCHED POLYCARBONATE BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO claimed