Toluene

Toluene

SCHEMBL28212958

CCOC(=O)C(NC(C)=O)C(=O)OCC.Cc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MMP8 P22894 2/20 0.46
PIN1 Q13526 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1968423 0.84 CA12 (0.55) LMNAMMP8PIN1MEN1NPC1
Acetic Acid SCHEMBL27299232 0.84 LMNA (0.50) LMNAMMP8KMT2AALDH1A1RECQL
SCHEMBL1332017 0.84 LMNA (0.53) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL1331748 0.84 LMNA (0.53) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL1330728 0.84 LMNA (0.53) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL1332187 0.84 LMNA (0.53) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL81193 0.84 LMNA (0.53) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL27616702 0.83 LMNA (0.50) LMNAMMP8PIN1MEN1NPC1
Iodide SCHEMBL5351689 0.83 CA12 (0.54) LMNAMMP8PIN1MEN1NPC1
Bromide SCHEMBL7614615 0.83 CA12 (0.54) LMNAMMP8PIN1MEN1NPC1

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-107847485-A 5-methoxytryptophan and derivatives and application thereof 财团法人卫生研究院 2018-03-27 CN disclosed