Toluene

Toluene

SCHEMBL5607339

C1CCCCC1.C=C(C)C(=O)O.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
AKR1C3 P42330 2/20 0.38
MAPT P10636 2/20 0.37
ELANE P08246 1/20 0.37
POLB P06746 2/20 0.36
NAPRT Q6XQN6 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL10539493 0.93 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL1692174 0.93 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL3743638 0.87 LMNA (0.48) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7757635 0.86 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28087906 0.85 LMNA (0.46) LMNATSHRALOX12ACHECES2
P-Xylene SCHEMBL5606525 0.84 ALDH1A1 (0.52) LMNAACHECES2CES1ALDH1A1
P-Xylene SCHEMBL18496744 0.84 ALDH1A1 (0.52) LMNAACHECES2CES1ALDH1A1
Toluene SCHEMBL27847029 0.83 LMNA (0.44) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL11647386 0.83 LMNA (0.44) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL11647384 0.83 LMNA (0.44) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856166-A2 MODIFIED POLYOLEFIN WAXES BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092425-A2 MODIFIED POLYOLEFIN WAXES BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO disclosed