Toluene

Toluene

SCHEMBL1852909

C=CCOC(=O)C=C.Cc1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
APP P05067 1/20 0.41
ALOX12 P18054 2/20 0.40
LIG1 P18858 1/20 0.40

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
Toluene SCHEMBL11320560 0.90 CYP3A4 (0.51) CYP3A4THRBNPSR1TSHRALDH1A1
Toluene SCHEMBL11320582 0.90 CYP3A4 (0.51) CYP3A4THRBNPSR1TSHRALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL7116609 0.86 THRB (0.53) THRBTSHRALDH1A1MAPTMEN1
Acrylic Acid Ethyl Ester SCHEMBL27561081 0.84 THRB (0.51) THRBTSHRALDH1A1MAPTMEN1
Phenol SCHEMBL29083052 0.84 CYP3A4 (0.53) CYP3A4THRBNPSR1TSHRALDH1A1
Phenol SCHEMBL313013 0.84 CYP3A4 (0.53) CYP3A4THRBNPSR1TSHRALDH1A1
Toluene SCHEMBL1660903 0.84 CYP3A4 (0.53) CYP3A4NPSR1TSHRALDH1A1HSD17B10
Styrene SCHEMBL167641 0.83 CYP3A4 (0.51) CYP3A4THRBNPSR1TSHRALDH1A1
Toluene SCHEMBL1179811 0.81 CYP3A4 (0.80) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL28117903 0.81 HCAR2 (0.56) CYP3A4THRBTSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707451-B1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP EXPLORATION OPERATING (GB) 2015-03-25 EP disclosed
US-20140076635-A1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2014-03-20 US disclosed
EP-2707451-A1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP Exploration Operating Company Limited (GB) 2014-03-19 EP disclosed
WO-2012152889-A1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2012-11-15 WO disclosed
US-8242059-B2 Wellbore fluid BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2012-08-14 US disclosed
US-20110146983-A1 METHOD OF CARRYING OUT A WLLBORE OPERATION BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2011-06-23 US disclosed
EP-2324093-A1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP Exploration Operating Company Limited (GB) 2011-05-25 EP disclosed
EP-2207863-B1 WELLBORE FLUID BP EXPLORATION OPERATING (GB) 2011-05-04 EP disclosed
US-20100248996-A1 WELLBORE FLUID BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2010-09-30 US disclosed
EP-2207863-A1 WELLBORE FLUID BP Exploration Operating Company Limited (GB) 2010-07-21 EP disclosed
EP-2154224-A1 Method of carrying out a wellbore operation BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2010-02-17 EP disclosed
WO-2010010325-A1 METHOD OF CARRYING OUT A WELLBORE OPERATION BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2010-01-28 WO disclosed
EP-2075302-A1 Wellbore fluid BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2009-07-01 EP disclosed
WO-2009047478-A1 WELLBORE FLUID BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2009-04-16 WO disclosed