Toluene

Toluene

SCHEMBL28087906

C=C(C)C(=O)O.C=C(C)C(=O)O.Cc1ccccc1.OCCO

nearest known ligand 0.46

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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
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.91 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL1692174 0.91 LMNA (0.55) LMNATSHRALOX12ACHENPC1
O-Xylene SCHEMBL28201006 0.86 ERCC5 (0.42) TSHRACHECES2CES1ALDH1A1
Biphenyl SCHEMBL28832981 0.85 SMN1; SMN2 (0.48) LMNATSHRALDH1A1KDM4ESMN1; SMN2
Toluene SCHEMBL3743638 0.85 LMNA (0.48) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL5607339 0.85 LMNA (0.48) LMNATSHRALOX12ACHENPC1
Methacrylic Acid SCHEMBL28145674 0.84 TDP1 (0.38) TSHRALDH1A1KDM4EHPGDTDP1
Phenol SCHEMBL28554972 0.83 TDP1 (0.46) LMNATSHRRAB9AKMT2AMEN1
P-Xylene SCHEMBL18496744 0.82 ALDH1A1 (0.52) LMNAACHENPC1RAB9AKMT2A
P-Xylene SCHEMBL5606525 0.82 ALDH1A1 (0.52) LMNAACHENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104169365-B Aromatic copolycarbonate system composite resin composition and products formed 三菱工程塑胶株式会社 2016-08-24 CN disclosed