Toluene

Toluene

SCHEMBL979656

Cc1ccccc1.O=S(=O)(Cl)c1ccc(CC[Si](Cl)(Cl)Cl)cc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 5/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
HTR6 P50406 1/20 0.39
NPC1 O15118 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38

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
SCHEMBL485774 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1KMT2AMEN1
Methylene Chloride SCHEMBL6230558 0.83 CA2 (0.40) ALDH1A1HSD17B10TDP1CA12CYP1A2
Toluene SCHEMBL18394201 0.83 LMNA (0.46) ALDH1A1HSD17B10TDP1ACHECYP1A2
Toluene SCHEMBL1393755 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL11583152 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1CA12CA9
Toluene SCHEMBL27723212 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL840528 0.77 CYP1A2 (0.50) ALDH1A1TDP1KMT2AMEN1ACHE
Toluene SCHEMBL7520597 0.77 ALDH1A1 (0.76) ALDH1A1HSD17B10TDP1ACHECA12
SCHEMBL8319815 0.76 CA2 (0.40) ALDH1A1HSD17B10TDP1CNR2KMT2A
SCHEMBL9510374 0.76 CA2 (0.40) ALDH1A1HSD17B10TDP1CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250213-B1 SILSESQUIOXANE RESINS DOW CORNING (US) 2013-08-21 EP disclosed
US-8304161-B2 Silsesquioxane resins DOW CORNING CORPORATION (US) 2012-11-06 US disclosed
US-20110003249-A1 Silsesquioxane Resins DOW CORNING CORPORATION 2011-01-06 US disclosed
EP-2250213-A2 SILSESQUIOXANE RESINS Dow Corning Corporation (US) 2010-11-17 EP disclosed
WO-2009111122-A2 SILSESQUIOXANE RESINS DOW CORNING CORPORATION (US) 2009-09-11 WO disclosed