2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL28216593

CCCCC(CC)C(=O)O.Cc1ccccc1.[InH3]

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.67
MAPK1 P28482 2/20 0.67
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 3/20 0.47
PTGES O14684 5/20 0.46
ALOX5 P09917 5/20 0.46
PPARG P37231 5/20 0.46
CA1 P00915 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43

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 SCHEMBL2362729 0.98 CA2 (0.69) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL28286573 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL28285129 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL28325292 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL19348931 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL20502948 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL28031054 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL18917645 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL20393998 0.97 CA2 (0.67) CA2MAPK1MEN1ALDH1A1MAPT
Toluene SCHEMBL3673405 0.88 CYP1A2 (0.54) CA2MAPK1MEN1ALDH1A1MAPT

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
CN-108028270-A For forming coating fluid, n-type oxide semiconductor film manufacture method and the manufacturing method for field effect transistor of n-type oxide semiconductor film 株式会社理光 2018-05-11 CN disclosed