Toluene

Toluene

SCHEMBL4535818

Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 1.00
TSHR P16473 2/20 1.00
LMNA P02545 1/20 1.00
ALOX12 P18054 1/20 1.00
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 2/20 0.53
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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 SCHEMBL8433895 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL175861 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL10976206 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
SCHEMBL12344964 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8824270 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL1 1.00
Toluene SCHEMBL8938900 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4429042 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
SCHEMBL12344943 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11213676 1.00 ACHE (1.00) ACHETSHRLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014091498-A2 PROCESS FOR TREATMENT OF CRUDE OIL, SLUDGES AND EMULSIONS SHUBHO-TECH PRIVATE LIMITED (IN) 2014-06-19 WO disclosed
US-7531697-B2 Process for the preparation of aromatic aldehydes DEGUSSA GMBH (DE) 2009-05-12 US disclosed
CN-1665552-A Intraocular lens with modified surface BAUSCH & LOMB (US) 2005-09-07 CN disclosed
US-5269975-A Solidification of organic waste materials in cement NOAKES JOHN E (US) 1993-12-14 US disclosed
US-4977241-A AGGLOMERATION OF PARTICLES CONTAINED IN LATEX MITSUBISHI RAYON COMPANY, LTD. (JP) 1990-12-11 US disclosed
US-4874841-A COAGULATING A LATEX USING A COAGULANT AND ORGANIC LIQUID HAVING LOW WATER SOLUBILITY MITSUBISHI RAYON CO., LTD. (JP) 1989-10-17 US disclosed
US-4369106-A IN SITU HYDROGENATION CATALYST PREPARATION EXXON RESEARCH AND ENGINEERING CO. (US) 1983-01-18 US disclosed
US-4314041-A OF AROMATIC VINYL COMPOUND AND VINYL CYANIDE ON ETHYLENE-PROPYLENENONCONJUGATED DIENE RUBBER, FREE RADICAL CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1982-02-02 US disclosed
US-4141750-A FOR PAPER, A REACTION PRODUCT OF A LEWIS ACID AND UREA MIXED WITH A ROSIN MODIFIED BY UNSATURATED ALIPHATIC ACID THE PLASMINE CORPORATION (US) 1979-02-27 US disclosed
US-4104319-A CRYSTALLINE ALUMINO-SILICATE ZEOLITE CATALYST MOBIL OIL CORPORATION (US) 1978-08-01 US disclosed