Phenol

Phenol

SCHEMBL1833272

COC(C)NC(C)OC.Oc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GLA P06280 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
SLC6A2 P23975 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRM1 P35372 2/20 0.37

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
Benzoic Acid SCHEMBL1832941 0.78 TSHR (0.54) TDP1CA1CA2KMT2AADRA2A
Phenol SCHEMBL7546796 0.77 TDP1 (0.58) TDP1CA12CA1CA2GLA
Phenol SCHEMBL3855191 0.75 CA2 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL547014 0.75 CA2 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL5874437 0.75 GLA (0.55) TDP1CA12CA1CA2GLA
Phenol SCHEMBL730141 0.75 CA12 (0.55) TDP1CA12CA1CA2GLA
Phenol SCHEMBL8375278 0.73 CA12 (0.69) TDP1CA12CA1CA2GLA
Phenol SCHEMBL21753960 0.73 CA12 (0.69) TDP1CA12CA1CA2GLA
Phenol SCHEMBL11804148 0.73 CA4 (0.69) TDP1CA12CA1CA2GLA
Phenol SCHEMBL4294325 0.73 CA12 (0.69) TDP1CA12CA1CA2GLA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed