Toluene

Toluene

SCHEMBL9191013

CC(C)=O.CC(C)N.Cc1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ KIF11 P52732 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 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 SCHEMBL27310391 0.88 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL6867152 0.88 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9815765 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10604374 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL6194164 0.87 LMNA (0.69) LMNATSHRALOX12ACHEADRA2A
Toluene SCHEMBL19715122 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10941235 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9689391 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL5776784 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9176449 0.87 LMNA (0.69) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560868-B1 INDAN DERIVATIVES LUNDBECK & CO AS H (DK) 1995-04-19 — — EP disclosed
EP-0560868-A1 INDAN DERIVATIVES. LUNDBECK & CO AS H (DK) 1993-09-22 — — EP disclosed
WO-1992010192-A1 INDAN DERIVATIVES H. LUNDBECK A/S (DK) 1992-06-25 — — WO disclosed
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