Phenol

Phenol

SCHEMBL28178409

CCCCCCCCCCc1ccccc1CCCCCCCCCC.Oc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.61
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57

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
Phenol SCHEMBL27403989 1.00 LIPG (0.61) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28168154 0.92 TYR (0.52) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL9509568 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL970202 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL2205139 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL8395143 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL11032832 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL2961601 0.91 BID (0.59) LIPGESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28085362 0.90 ESR1 (0.51) LIPGESR1ADRA2AADORA3TACR2
Benzene SCHEMBL8729420 0.89 LIPG (0.67) LIPGBIDMCL1BCL2L1BAK1

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
CN-104470890-B Aminoethylation process for preparing aryloxyalkylene amine compounds 雪佛龙奥伦耐有限责任公司 2017-09-26 CN disclosed