1-Hydroxy-3-Methoxybenzene

1-Hydroxy-3-Methoxybenzene

SCHEMBL11366244

COc1cccc(O)c1.[Al+3].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of 1-Hydroxy-3-Methoxybenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.52
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
CYP3A4 P08684 3/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ENPP2 Q13822 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50

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
1-Hydroxy-3-Methoxybenzene SCHEMBL28256 0.95
1-Hydroxy-3-Methoxybenzene SCHEMBL29421717 0.95
1-Hydroxy-3-Methoxybenzene SCHEMBL6760019 0.93 ESR1 (0.62) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL28322080 0.93 ESR1 (0.62) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL27770537 0.93 ESR1 (0.62) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL7390774 0.93 ESR1 (0.62) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL27446904 0.93 ESR1 (0.62) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL11366240 0.91 ESR1 (0.61) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL9623569 0.89 ESR1 (0.59) ESR1ESR2GABRA1GABRG2GABRB3
1-Hydroxy-3-Methoxybenzene SCHEMBL27611510 0.89 ESR1 (0.64) ESR1ESR2GABRA1GABRG2GABRB3

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-4244970-A WITH A 2-HYDROXYBENZOPHENONE FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1981-01-13 US disclosed