SCHEMBL28070936

SCHEMBL28070936

CCCCC(CC(=O)O)C(=O)O.[CaH2]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.65
MAPK1 P28482 1/20 0.65
FOLH1 Q04609 1/20 0.56
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
SLC1A3 P43003 1/20 0.55
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48

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
SCHEMBL9590977 0.98 CA2 (0.68) CA2MAPK1FOLH1SLC1A2SLC1A1
SCHEMBL306773 0.98 CA2 (0.68) CA2MAPK1FOLH1SLC1A2SLC1A1
SCHEMBL28070966 0.96 CA2 (0.65) CA2MAPK1FOLH1SLC1A2SLC1A1
SCHEMBL28755218 0.96 CA2 (0.65) CA2MAPK1FOLH1SLC1A2SLC1A1
Water SCHEMBL28135418 0.96 CA2 (0.65) CA2MAPK1FOLH1SLC1A2SLC1A1
Nonic Acid SCHEMBL706231 0.91 CA2 (0.59) CA2MAPK1FOLH1SLC1A2SLC1A1
Nonic Acid SCHEMBL29949536 0.91 CA2 (0.59) CA2MAPK1FOLH1SLC1A2SLC1A1
Nonic Acid SCHEMBL29394883 0.91 CA2 (0.59) CA2MAPK1FOLH1SLC1A2SLC1A1
Adipic Acid SCHEMBL1975856 0.90 FOLH1 (0.61) CA2MAPK1FOLH1TDP1GPR84
SCHEMBL28301683 0.90 CA2 (0.59) CA2MAPK1FOLH1SLC1A2SLC1A1

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
CN-105764883-A Thermoplastic polymer composition 美利肯公司 2016-07-13 CN disclosed
CN-105764971-A Thermoplastic polymer composition 美利肯公司 2016-07-13 CN disclosed
CN-105745189-A Thermoplastic polymer composition 美利肯公司 2016-07-06 CN disclosed
CN-105745264-A Thermoplastic polymer composition 美利肯公司 2016-07-06 CN disclosed