2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL8889306

CCCCC(CC)C(=O)O.Nc1ccccc1C(=O)O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
FOLH1 Q04609 2/20 0.45
TSHR P16473 2/20 0.44
CA1 P00915 1/20 0.44
RECQL P46063 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CYP3A4 P08684 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 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
Phthalic Acid SCHEMBL27649796 0.90 CA2 (0.67) CA2MAPK1ALDH1A1MEN1KMT2A
2-Ethylhexanoic Acid SCHEMBL23398208 0.84 CA2 (0.59) CA2MAPK1ALDH1A1MEN1KMT2A
Anthranilic Acid SCHEMBL27737311 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHSD17B10
Anthranilic Acid SCHEMBL27798850 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Hexadecane SCHEMBL27542488 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Anthranilic Acid SCHEMBL27972363 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Anthranilic Acid SCHEMBL28806867 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Anthranilic Acid SCHEMBL27972099 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Anthranilic Acid SCHEMBL27972249 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT
Undecane SCHEMBL27546967 0.81 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2AMAPT

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
US-5449387-A Cerium (IV) catalyst compounds and promoting combustion of hydrocarbon fuels therewith RHONE-POULENC CHEMICALS LIMITED (GB) 1995-09-12 US claimed
US-5674985-A REACTING A CERIUM SALT WITH A OXYACID RHONE-POULENC CHEMICALS LIMITED (GB) 1997-10-07 US disclosed
US-5449387-A Cerium (IV) catalyst compounds and promoting combustion of hydrocarbon fuels therewith RHONE-POULENC CHEMICALS LIMITED (GB) 1995-09-12 US disclosed