SCHEMBL5483680

SCHEMBL5483680

CC(C)C[n+]1ccccc1.O=[Al]Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
KMT2A Q03164 1/20 0.31
ACHE P22303 3/20 0.31
BCHE P06276 2/20 0.31
ABCB11 O95342 1/20 0.30
ESR1 P03372 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
PDE4A P27815 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL624573 0.86 CHRNA7 (0.39) CHRNA7ACHEBCHE
Hydrochloric Acid SCHEMBL2027039 0.84 MEN1 (0.39) CHRNA7KMT2AACHEBCHE
Bromide SCHEMBL8427363 0.84 ACHE (0.42) CHRNA7KMT2AACHEBCHECHRM2
SCHEMBL1072826 0.77 CHRNA7 (0.35) CHRNA7ACHEBCHEABCB11ESR1
SCHEMBL31207578 0.77 CHRNA7 (0.35) CHRNA7ACHEBCHEABCB11ESR1
SCHEMBL222302 0.68 ACHE (0.63) KMT2AACHEBCHEABCB11ESR1
SCHEMBL804049 0.67 CHRNA7 (0.41) CHRNA7KMT2AACHEBCHE
SCHEMBL4893399 0.67 CHRNA7 (0.41) CHRNA7KMT2AACHEBCHE
SCHEMBL5944512 0.65 ACHE (0.38) KMT2AACHEBCHEABCB11ESR1
Hydrochloric Acid SCHEMBL32681173 0.65 CHRNA7 (0.40) CHRNA7KMT2AACHEBCHEABCB11

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-2007078594-A2 PROCESS FOR MAKING AND COMPOSITION OF SUPERIOR LUBRICANT OR LUBRICANT BLENDSTOCK CHEVRON U.S.A. INC. (US) 2007-07-12 WO disclosed