Phenol

Phenol

SCHEMBL5446380

CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccccc1.Oc1ccccc1

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.79
ESR2 Q92731 8/20 0.79
CYP3A4 P08684 3/20 0.79
ALDH1A1 P00352 2/20 0.79
AR P10275 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR6 P50406 1/20 0.70
ESRRG P62508 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HSD17B10 Q99714 1/20 0.70
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL3660292 0.96 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL9284623 0.96 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1AR
Bisphenol A SCHEMBL7237612 0.96 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1AR
Bisphenol A SCHEMBL3813565 0.93 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1AR
Phenol SCHEMBL1651212 0.93 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1AR
Bisphenol A SCHEMBL1616490 0.93 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1AR
Phenol SCHEMBL8987629 0.93 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1AR
Phenol SCHEMBL5691556 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR
Bisphenol A SCHEMBL30645577 0.91 ESR1 (0.86) ESR1ESR2CYP3A4ALDH1A1AR
Phenol SCHEMBL29851136 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR

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-20070134498-A1 Resin composition for protective film NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-14 US disclosed