Phenol

Phenol

SCHEMBL28085239

COS(=O)(=O)c1ccccc1.Oc1ccccc1.S

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GLA P06280 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CYTH2 Q99418 1/20 0.40
HTR6 P50406 2/20 0.39
PARL Q9H300 1/20 0.39
BCAT1 P54687 1/20 0.39
ESR1 P03372 1/20 0.39
ENPP2 Q13822 1/20 0.39
PSIP1 O75475 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
SCHEMBL94530 0.87 HTR6 (0.50) TDP1CA12CA1CA2CA3
SCHEMBL29062649 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL28888539 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL29067362 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL614636 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
Ammonia Solution, Strong SCHEMBL8436849 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL417960 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL28596320 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL31149858 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3
SCHEMBL10400632 0.85 HTR6 (0.48) TDP1CA12CA1CA2CA3

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
CN-103446725-B Golf 邓禄普体育用品株式会社 2016-08-10 CN disclosed