Toluene

Toluene

SCHEMBL28050484

C=C(C)c1ccccc1C.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 2/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MYC P01106 1/20 0.37
AKR1C3 P42330 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL11850717 0.91 MAOA (0.48) TSHRACHEMAOAMAOBHPGD
SCHEMBL29395870 0.91 MAOA (0.48) TSHRACHEMAOAMAOBHPGD
SCHEMBL318284 0.91 MAOA (0.48) TSHRACHEMAOAMAOBHPGD
Toluene SCHEMBL10320308 0.89 ACHE (0.55) TSHRACHELMNAALOX12MAOA
SCHEMBL27384165 0.89 MAOA (0.47) TSHRACHEMAOAMAOBHPGD
Indene SCHEMBL8662549 0.81 CYP2C19 (0.53) TSHRACHELMNAALOX12MAOA
Toluene SCHEMBL8154309 0.78 ACHE (0.69) TSHRACHELMNAALOX12HPGD
Toluene SCHEMBL10725581 0.78 ACHE (0.69) TSHRACHELMNAALOX12HPGD
Hydrogen Peroxide SCHEMBL28416110 0.78 ALDH1A1 (0.43) TSHRHPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL272167 0.77 MAOA (0.48) TSHRACHEMAOAMAOBHPGD

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-103842459-B Adhesive composition and use its image display device MITSUI CHEMICALS, INC. (JP) 2016-02-10 CN claimed