2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL9122425

CCCCC(CC)C(=O)O.CCCCCCCCCCCCc1ccccc1S(=O)(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
CA2 P00918 1/20 0.50
CYSLTR2 Q9NS75 6/20 0.46
CYSLTR1 Q9Y271 6/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42

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
Potassium SCHEMBL928371 0.87 LIPG (0.53) CYSLTR2CYSLTR1BIDMCL1BCL2L1
Potassium SCHEMBL3213717 0.87 LIPG (0.53) CYSLTR2CYSLTR1BIDMCL1BCL2L1
Bicarbonate SCHEMBL11369976 0.85 BID (0.49) CYSLTR2CYSLTR1BIDMCL1BCL2L1
Acetic Acid SCHEMBL28356155 0.85 BID (0.49) CYSLTR2CYSLTR1BIDMCL1BCL2L1
Oxalic Acid SCHEMBL15009582 0.85 BID (0.49) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL6151973 0.85 LIPG (0.54) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL6535928 0.85 LIPG (0.54) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL25239 0.85 LIPG (0.54) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL24722 0.85 LIPG (0.54) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL21121138 0.85 LIPG (0.54) CYSLTR2CYSLTR1BIDMCL1BCL2L1

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-5449387-A Cerium (IV) catalyst compounds and promoting combustion of hydrocarbon fuels therewith RHONE-POULENC CHEMICALS LIMITED (GB) 1995-09-12 US claimed