Toluene

Toluene

SCHEMBL8371012

Cc1ccccc1.O=C1CCC(=O)N1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
ACHE P22303 1/20 0.52
NPC1 O15118 1/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
DDB1 Q16531 8/20 0.44
MAPT P10636 1/20 0.41
PKM P14618 2/20 0.40
SRD5A1 P18405 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
Succinimide SCHEMBL27849600 0.82 CRBN (0.79) CRBNNPC1MAPK13MAPK12MAPK11
Succinimide SCHEMBL28635055 0.82 CRBN (0.79) CRBNNPC1MAPK13MAPK12MAPK11
Biphenyl SCHEMBL7154019 0.80 CRBN (0.58) CRBNLMNANPC1MAPK13MAPK12
Succinimide SCHEMBL28715844 0.76 CRBN (0.52) CRBNALOX12NPC1MAPK13MAPK12
Toluene SCHEMBL564059 0.76
SCHEMBL23142732 0.74 CRBN (0.81) CRBNALOX12NPC1DDB1MAPT
Diphenylsulfane SCHEMBL4855555 0.74 CRBN (0.50) CRBNNPC1MAPK13MAPK12MAPK11
(Z)-1,2-Diphenylethene SCHEMBL10997055 0.74 CRBN (0.50) CRBNLMNANPC1MAPK13MAPK12
(Z)-1,2-Diphenylethene SCHEMBL10997053 0.74 CRBN (0.50) CRBNLMNANPC1MAPK13MAPK12
Succinimide SCHEMBL28472780 0.74 CRBN (0.50) CRBNLMNATSHRNPC1MAPK13

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
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed