Toluene

Toluene

SCHEMBL3469199

Cc1ccccc1.N=C=O.N=C=O.OCCO

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ACHE P22303 2/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
VCP P55072 1/20 0.36
PABPC1 P11940 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.34

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 SCHEMBL28462909 1.00 LMNA (0.50) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL11664184 0.93 LMNA (0.52) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL326274 0.91 TSHR (0.46) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL27294596 0.91 LMNA (0.50) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL28853719 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL29088577 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL7745465 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL28488283 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL32871 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1
Toluene SCHEMBL57282 0.88 ACHE (0.65) LMNAACHETSHRALOX12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192379-A Lead fluoride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-09 US claimed
EP-2055327-B1 Antimicrobial lubricious coating COVIDIEN LP (US) 2013-12-11 EP disclosed
US-7820734-B2 Antimicrobial lubricious coating TYCO HEALTHCARE GROUP LP (US) 2010-10-26 US disclosed
EP-2055327-A1 Antimicrobial lubricious coating Tyco Healthcare Group LP (US) 2009-05-06 EP disclosed
US-20080085949-A1 ANTIMICROBIAL LUBRICIOUS COATING KPR U.S., LLC 2008-04-10 US disclosed
US-5192379-A Lead fluoride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-09 US disclosed
EP-0106004-B1 METHOD OF FORMING A HYDROPHILIC COATING ON A SUBSTRATE Astra Tech Aktiebolag (SE) 1988-01-07 EP disclosed
US-4576156-A Prophylactic device and method ORTHO PHARMACEUTICAL CORPORATION (US) 1986-03-18 US disclosed
EP-0106004-A1 Method of forming a hydrophilic coating on a substrate Astra Tech Aktiebolag (SE) 1984-04-25 EP disclosed
US-RE31340-E Process for the production of poly (polyisocyanate-polyol-alkali metal silicate) solid Blount, David H. (US) 1983-08-09 US disclosed
US-4373009-A Method of forming a hydrophilic coating on a substrate INTERNATIONAL SILICONE CORPORATION (US) 1983-02-08 US disclosed
US-4296211-A Process for the production of poly (polyisocyanate-polyol-alkali metal silicate) solid or foamed products BLOUNT DAVID H 1981-10-20 US disclosed
US-4273908-A Process for the production of poly (polyisocyanate-polyol-alkali metal silicate solid BLOUNT DAVID H 1981-06-16 US disclosed