SCHEMBL5533231

SCHEMBL5533231

CCCCCCCCCCCC(C[n+]1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
ACHE P22303 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAPK1 P28482 2/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL5538865 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5535317 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5532651 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5538813 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5533712 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5533243 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5537333 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5538486 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5533514 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2
SCHEMBL5535251 1.00 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CHRM2

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-20070044831-A1 Electrolyte composition and dye-sensitized solar cell NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2007-03-01 US disclosed