2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL9543013

CCCCC(CC)C(=O)O.CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC)CCCC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.62
MAPK1 P28482 1/20 0.62
CA1 P00915 4/20 0.53
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
SLC1A3 P43003 1/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL28899012 0.94 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL1274961 0.94 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL866148 0.94 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL1490741 0.94 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL535672 0.94 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL22471739 0.92 CA2 (0.56) CA2MAPK1CA1GRIK1GRIK2
Ether SCHEMBL3957556 0.88 CA2 (0.53) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL2305289 0.87 CA2 (0.55) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL2304371 0.87 CA2 (0.55) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL473755 0.87 CA2 (0.59) CA2MAPK1CA1GRIK1GRIK2

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
WO-1993018010-A1 BENZIMIDAZOLE ANTHELMINTIC AGENTS PFIZER LIMITED (GB) 1993-09-16 WO disclosed