2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL8078743

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

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.80
MAPK1 P28482 2/20 0.80
CA1 P00915 4/20 0.53
SLC1A2 P43004 3/20 0.52
SLC1A1 P43005 3/20 0.52
SLC1A3 P43003 2/20 0.52
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46

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
2-Ethylhexanoic Acid SCHEMBL25213321 1.00 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL12816586 1.00 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL617499 1.00 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL1894894 1.00 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL452531 1.00 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL1899777 0.96 CA2 (0.74) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL31179856 0.93 CA2 (0.69) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL3186433 0.92 CA2 (0.74) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL813396 0.92 CA2 (0.74) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL618583 0.92 CA2 (0.74) CA2MAPK1CA1SLC1A2SLC1A1

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
EP-0726504-B1 Transfer material carrying member and image-forming apparatus comprising such transfer material carrying member CANON KK (JP) 2000-08-30 EP disclosed
US-5633702-A HIGH TRANSFER EFFICIENCY; FREE FROM ELECTRICITY LEAKAGE CANON KABUSHIKI KAISHA (JP) 1997-05-27 US disclosed
EP-0726504-A1 Transfer material carrying member and image-forming apparatus comprising such transfer material carrying member CANON KABUSHIKI KAISHA (JP) 1996-08-14 EP disclosed