Toluene

Toluene

SCHEMBL30760635

Cc1cccc(C)c1OP(=O)(O)O.Cc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 3/20 0.50
INPP5A Q14642 2/20 0.50
INPP5B P32019 1/20 0.50
SRC P12931 5/20 0.48
AKT1 P31749 1/20 0.44
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ACP3 P15309 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL2220467 0.90 INPPL1 (0.59) INPPL1INPP5AINPP5BSRCAKT1
Toluene SCHEMBL29065788 0.89 ACP3 (0.41) INPPL1INPP5AINPP5BSRCLMNA
Phosphoric Acid SCHEMBL28272503 0.88 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCAKT1
SCHEMBL10901422 0.81 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCAKT1
Toluene SCHEMBL28433587 0.81 MAPT (0.57) INPPL1INPP5AINPP5BSRCAKT1
Resorcinol SCHEMBL1458397 0.80 SRC (0.50) INPPL1INPP5AINPP5BSRCAKT1
Phenyl Dihydrogen Phosphate SCHEMBL27269289 0.79 SRC (0.79) INPPL1INPP5ASRCLMNAKMT2A
SCHEMBL25397512 0.78 MEN1 (0.46) SRCLMNAKMT2AL3MBTL1MEN1
SCHEMBL272850 0.78 INPPL1 (0.43) INPPL1INPP5AINPP5BSRCAKT1
SCHEMBL7591865 0.78 INPPL1 (0.50) INPPL1INPP5AINPP5BSRCAKT1

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-114026179-B Transparent polyimide film and method for producing same 株式会社钟化 2023-11-24 CN disclosed