Toluene

Toluene

SCHEMBL9720131

COC(CN)OC.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
TAAR1 Q96RJ0 5/20 0.40
KIF11 P52732 5/20 0.40
HTR2A P28223 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AOC3 Q16853 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL963521 0.77 CA4 (0.41) LMNATAAR1HTR2ASLC6A4
SCHEMBL94 0.75
Hydrochloric Acid SCHEMBL29278092 0.75 CA4 (0.39) TAAR1HTR2ASLC6A4
Toluene SCHEMBL4171207 0.74 ACHE (0.61) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL4774666 0.73 ACHE (0.69) LMNATSHRALOX12ACHETAAR1
Toluene SCHEMBL3861980 0.73 ACHE (0.69) LMNATSHRALOX12ACHETAAR1
Toluene SCHEMBL14637534 0.73 LMNA (0.52) LMNATSHRALOX12ACHETAAR1
Toluene SCHEMBL9799867 0.72 ACHE (0.79) LMNATSHRALOX12ACHENPC1
Bromide SCHEMBL10832798 0.72
Hydrochloric Acid SCHEMBL10834720 0.72

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
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed