Phenol

Phenol

SCHEMBL8044939

C=CC(=O)O.CC1CO1.Oc1ccccc1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GLA P06280 1/20 0.39
AKT1 P31749 1/20 0.38
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
LMNA P02545 2/20 0.36
TGM2 P21980 1/20 0.35
PKM P14618 3/20 0.35
MAPK1 P28482 2/20 0.35
CES2 O00748 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ESR1 P03372 4/20 0.33
ALDH1A1 P00352 3/20 0.33

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 SCHEMBL27566674 0.87 TDP1 (0.48) TDP1CA12CA1CA2CA3
Benzene SCHEMBL9277815 0.87 LMNA (0.48) TDP1AKT1LMNATGM2PKM
Phenol SCHEMBL1738526 0.84 CA12 (0.55) TDP1CA12CA1CA2CA3
Phenol SCHEMBL1224881 0.84 CA12 (0.55) TDP1CA12CA1CA2CA3
Phthalic Acid SCHEMBL9060619 0.84 ALDH1A1 (0.48) CA12CA1CA2CA4CA9
Acrylic Acid SCHEMBL40229 0.82
Phenol SCHEMBL28699432 0.82 CA1 (0.58) TDP1CA12CA1CA2CA3
Phenol SCHEMBL30456139 0.82 CA1 (0.58) TDP1CA12CA1CA2CA3
Phenol SCHEMBL111623 0.82 CA1 (0.58) TDP1CA12CA1CA2CA3
Acrylic Acid SCHEMBL29572984 0.82 LMNA (0.53) TDP1LMNAALDH1A1ALOX15HSD17B10

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed