Phenol

Phenol

SCHEMBL5006868

CCOC(=O)C(C)C.Oc1ccccc1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MMP8 P22894 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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 SCHEMBL28225163 0.98 PIN1 (0.50) PIN1MEN1KMT2ANPC1L3MBTL1
Toluene SCHEMBL7044583 0.86 PIN1 (0.53) PIN1MEN1KMT2ANPC1L3MBTL1
Benzene SCHEMBL28153331 0.85 PIN1 (0.48) PIN1MEN1KMT2ANPC1L3MBTL1
Phenol SCHEMBL27676796 0.85 PIN1 (0.49) PIN1MEN1KMT2ANPC1L3MBTL1
Benzene SCHEMBL27512416 0.83 PIN1 (0.47) PIN1MEN1KMT2ANPC1L3MBTL1
Chlorobenzene SCHEMBL27340652 0.83 PIN1 (0.50) PIN1MEN1KMT2ANPC1L3MBTL1
Phenol SCHEMBL5132995 0.82 ALDH1A1 (0.56) PIN1MEN1KMT2ANPC1CA12
Phenol SCHEMBL5675619 0.82 CA12 (0.53) PIN1MEN1KMT2ANPC1CA12
Phenol SCHEMBL3364992 0.81 PIN1 (0.45) PIN1MEN1KMT2ANPC1L3MBTL1
Thiobenzoic Acid SCHEMBL28631548 0.80 NPC1 (0.54) PIN1MEN1KMT2ANPC1L3MBTL1

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-20080294078-A1 Manual Device, Method and their Use for the Stimulation of Body regions via the Skin, in particular of the Female Breast LEURS AUGUSTE 2008-11-27 US disclosed