Toluene

Toluene

SCHEMBL3469158

CCOCC.Cc1ccccc1.O=C=NCCCCN=C=O.OCCO

nearest known ligand 0.34

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MIF P14174 1/20 0.31
KEAP1 Q14145 5/20 0.31
NFE2L2 Q16236 5/20 0.31
NAAA Q02083 1/20 0.30

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
Diphenylmethane SCHEMBL8726121 0.87 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAOAMAOB
Biphenyl SCHEMBL3012620 0.87 NAAA (0.38) ALDH1A1MAPTTRPM8MEN1KMT2A
Toluene SCHEMBL3469198 0.84 LMNA (0.42) MAPTTSHRLMNAALOX12ACHE
Ether SCHEMBL11056367 0.84 ALDH1A1 (0.36) ALDH1A1MIFNAAA
Biphenyl SCHEMBL3023954 0.83 ALDH1A1 (0.36) ALDH1A1MAPTLMNATRPM8MEN1
Toluene SCHEMBL27815423 0.82 LMNA (0.44) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL28180326 0.82 LMNA (0.44) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL11494092 0.80 TSHR (0.50) ALDH1A1MAPTTSHRLMNAALOX12
Toluene SCHEMBL28100339 0.80 LMNA (0.38) TSHRLMNAALOX12ACHEMAOA
Toluene SCHEMBL1508677 0.78 LMNA (0.39) TSHRLMNAALOX12ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0818207-A2 Medical article The BOC Group plc (GB) 1998-01-14 EP disclosed
EP-0799623-A2 Medical article with a lubricious coating The BOC Group plc (GB) 1997-10-08 EP disclosed