Phenol

Phenol

SCHEMBL28222015

CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.Oc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
ESR2 Q92731 4/20 0.42
ESR1 P03372 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GLA P06280 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2C19 P33261 2/20 0.38

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 SCHEMBL7858678 0.82 GABRA1 (0.73) GABRA1GABRB2ALDH1A1TSHRLMNA
Phenol SCHEMBL28231447 0.82 ALDH1A1 (0.60) ALDH1A1TSHRLMNACYP3A4CA12
SCHEMBL345598 0.82 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRCYP2D6
SCHEMBL15934276 0.80 GABRA1 (0.62) GABRA1GABRB2ALDH1A1TSHRLMNA
SCHEMBL9541341 0.79 LMNA (0.61) ALDH1A1TSHRLMNATYRESR2
Phenol SCHEMBL28079008 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1TSHRLMNA
Phenol SCHEMBL27853938 0.78 ESR1 (0.57) GABRA1GABRB2ALDH1A1LMNATYR
SCHEMBL24625060 0.77 GABRA1 (0.42) GABRA1GABRB2ALDH1A1TSHRCYP2D6
Phenol SCHEMBL28112897 0.77 GABRA1 (0.52) GABRA1GABRB2ALDH1A1TSHRLMNA
Phenol SCHEMBL28145384 0.76 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHRLMNA

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
CN-105473682-B Polymer proppant and preparation method thereof 开放式股份企业俄罗斯石油公司 2018-05-18 CN claimed
CN-105473682-B Polymer proppant and preparation method thereof 开放式股份企业俄罗斯石油公司 2018-05-18 CN disclosed