2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL19857577

CCCCC(CC)C(=O)O.CCOCC

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 0.55
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 SCHEMBL29236252 0.98 CA2 (0.77) CA2MAPK1CA1SLC1A2SLC1A1
Ether SCHEMBL2129960 0.92 CA2 (0.68) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8387406 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5695779 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5512393 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL25800 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.89 CA2 (1.00) 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
CN-108720238-B Lip product formulation, applicator and method for preparing lip product 伊欧诗产品有限公司 2021-09-24 CN disclosed
CN-108720238-A Lip product formula, applicator and the method for being used to prepare lip product 伊欧诗产品有限公司 2018-11-02 CN disclosed
US-20180042838-A1 SYSTEM, METHOD, AND KIT FOR SELECTING AND PREPARING CUSTOMIZED COSMETICS Medisca Pharmaceutique Inc. (CA) 2018-02-15 US disclosed