SCHEMBL1104299

SCHEMBL1104299

CCCCC(CC(=O)OCC(C)(CO)CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
MAPK1 P28482 2/20 0.51
CA1 P00915 4/20 0.44
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 2/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL1104243 0.94 CA2 (0.45) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL16248471 0.87 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL5557476 0.80 CA2 (0.57) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL1061357 0.79 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL18334306 0.79 CA2 (0.59) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8209570 0.79 GRIK1 (0.44) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8209572 0.79 GRIK1 (0.44) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8212027 0.79 GRIK1 (0.44) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8217092 0.78 GRIK1 (0.45) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL8212020 0.78 GRIK1 (0.45) CA2MAPK1SLC1A2SLC1A1GRIK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed