Toluene

Toluene

SCHEMBL27977943

CC(N)O.Cc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ ACHE P22303 1/20 0.61
▸ ADRA2A P08913 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ SLC6A2 P23975 2/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
Toluene SCHEMBL27917897 0.88 LMNA (0.69) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL50431 0.88 LMNA (0.69) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL28086966 0.88 LMNA (0.69) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL6194164 0.88 LMNA (0.69) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL11298633 0.86 LMNA (0.65) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL246259 0.86 LMNA (0.65) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL6795640 0.86 LMNA (0.65) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL11305018 0.86 LMNA (0.65) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL11305945 0.83 LMNA (0.61) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL9191013 0.82 LMNA (0.52) LMNATSHRALOX12ACHEADRA2A

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-104072382-A Synthetic process of crude meclofenoxate hydrochloride JIANGSU HI STONE PHARMACEUTICAL CO LTD 2014-10-01 — — CN disclosed
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