Toluene

Toluene

SCHEMBL6619657

CC(=O)OCCOC(C)=O.Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
RAD52 P43351 1/20 0.50
LMNA P02545 5/20 0.48
TSHR P16473 3/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
SLC18A3 Q16572 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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 SCHEMBL28285021 0.92 TSHR (0.55) ALDH1A1RAD52LMNATSHRALOX12
Toluene SCHEMBL11129618 0.90 ALDH1A1 (0.50) ALDH1A1RAD52LMNATSHRALOX12
Acetic Acid Propyl Ester SCHEMBL1780772 0.90 LMNA (0.56) ALDH1A1RAD52LMNATSHRALOX12
Toluene SCHEMBL10600132 0.89 ALDH1A1 (0.66) ALDH1A1RAD52LMNATSHRSLC18A3
P-Xylene SCHEMBL11399447 0.89 LMNA (0.54) ALDH1A1RAD52LMNATSHRRAB9A
Acetic Acid Propyl Ester SCHEMBL27540158 0.88 LMNA (0.55) ALDH1A1RAD52LMNATSHRALOX12
P-Xylene SCHEMBL10949353 0.88 ALDH1A1 (0.48) ALDH1A1RAD52LMNATSHRALOX12
Toluene SCHEMBL1405615 0.87 ALDH1A1 (0.61) ALDH1A1LMNATSHRALOX12ACHE
Toluene SCHEMBL9466202 0.87 ALDH1A1 (0.61) ALDH1A1LMNATSHRALOX12ACHE
Toluene SCHEMBL6453722 0.87 ALDH1A1 (0.61) ALDH1A1LMNATSHRALOX12ACHE

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
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20040041968-A1 Retardation plate and its manufacturing method, circularly polarizing plate and 1/2 wave plate using same, and a reflective liquid crystal display FUJI PHOTO FILM CO., LTD. 2004-03-04 US disclosed
EP-0590789-B9 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2004-02-04 EP disclosed
EP-0590789-B1 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2003-03-12 EP disclosed
US-5675008-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5670516-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5648492-A Process for preparing isoquinoline compounds ELI LILLY AND COMPANY (US) 1997-07-15 US disclosed
US-5637712-A CATALYTIC HYDROGENNATION ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5606062-A STEREOSELECTIVE REDUCTION ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
US-5399696-A Excitatory amino acid receptor antagonists; nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
EP-0590789-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1994-04-06 EP disclosed
US-5284957-A Substituted 1H- or 2H-tetrazoles ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed
US-4820836-A ANTICOAGULANTS, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1989-04-11 US disclosed