Toluene

Toluene

SCHEMBL8666488

C=C(CCl)c1ccccc1.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL15851 0.89 ALDH1A1 (0.52) TSHRMAOAMAOBALDH1A1TRPA1
SCHEMBL19409831 0.87 MAOA (0.47) LMNAMAOAMAOBALDH1A1TRPA1
SCHEMBL9365429 0.85 ALDH1A1 (0.42) LMNAACHEALDH1A1GSK3BPOLB
SCHEMBL10880306 0.83 MAOA (0.44) MAOAMAOBALDH1A1TRPA1MAPK1
SCHEMBL9845816 0.82 PARP1 (0.47) ACHEPOLBNPC1RAB9AMEN1
Styrene SCHEMBL1934989 0.76 ALDH1A1 (0.54) LMNATSHRACHEMAOAMAOB
SCHEMBL17819095 0.76 ALDH1A1 (0.42) TSHRMAOAMAOBALDH1A1TRPA1
Toluene SCHEMBL11670677 0.75 LMNA (0.58) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL5671767 0.74 ACHE (0.65) LMNATSHRALOX12ACHEALDH1A1
SCHEMBL11410430 0.74 HSD17B10 (0.50) LMNAMAOAMAOBALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595275-B1 Photographic light-sensitive elements EASTMAN KODAK CO (US) 1998-12-09 EP disclosed
EP-0595275-A1 Photographic light-sensitive elements EASTMAN KODAK COMPANY (US) 1994-05-04 EP disclosed
US-5300411-A Containing matting agent in overcoat EASTMAN KODAK COMPANY (US) 1994-04-05 US disclosed