Phenol

Phenol

SCHEMBL9459334

O=C(O)ONOC(=O)O.Oc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
GLA P06280 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CES2 O00748 1/20 0.43
LTA4H P09960 1/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39

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
Hydroquinone SCHEMBL23610583 0.90 CA2 (0.46) CA12CA1CA2CA9CA14
Phenol SCHEMBL18603299 0.80 CA12 (0.58) CA12CA1CA2CA9CA14
Phenol SCHEMBL25374179 0.80 CA12 (0.58) CA12CA1CA2CA9CA14
Phenol SCHEMBL27291732 0.77 CA12 (0.61) CA12CA1CA2CA9CA14
Phenol SCHEMBL7183126 0.76 CA12 (0.79) CA12CA1CA2CA9CA14
Phenol SCHEMBL252449 0.76 CA12 (0.79) CA12CA1CA2CA9CA14
Phenol SCHEMBL7570924 0.76 CA12 (0.79) CA12CA1CA2CA9CA14
Phenol SCHEMBL1975546 0.76 CA12 (0.79) CA12CA1CA2CA9CA14
Phenol SCHEMBL11136299 0.76 CA12 (0.79) CA12CA1CA2CA9CA14
Phenol SCHEMBL27928055 0.76 CA12 (0.79) CA12CA1CA2CA9CA14

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-5189058-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1993-02-23 US disclosed