SCHEMBL4895340

SCHEMBL4895340

CCCCCCC(C)CC[n+]1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.62
CHRM2 P08172 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
CHRM1 P11229 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
ABCB11 O95342 1/20 0.62
ESR1 P03372 1/20 0.62
PGR P06401 1/20 0.62
HTR1A P08908 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
PTGS1 P23219 1/20 0.62
PDE4A P27815 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL5818672 1.00 ACHE (0.62) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL28434704 0.98 KMT2A (0.63) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL2209795 0.96 KMT2A (0.60) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL4895571 0.92 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
Iodide SCHEMBL17825559 0.91 CHRM2 (0.66) ACHECHRM2ADRA2AADORA3CHRM1
Bromide SCHEMBL28757895 0.91 ACHE (0.69) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL23198628 0.85 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL12484757 0.85 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL10030663 0.83 CHRM2 (0.53) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL2837787 0.83 KMT2A (0.62) ACHECHRM2ADRA2AADORA3CHRM1

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
CN-113917590-A Optical laminate 住友化学株式会社 2022-01-11 CN disclosed
CN-110325887-B Optical laminate 住友化学株式会社 2021-11-26 CN disclosed
US-20080085417-A1 Comprises an acryl resin (butyl acrylate), an ionic compound containing a pyridinium based cation, and a crosslinker (tolylene diisocyanate) ; enhanced antistatic property and durability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-04-10 US disclosed