2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL4018852

CCCCC(CC)C(=O)O.COc1ccc(C=C(CC(O)CO)C(=O)O)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
PTPN1 P18031 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 1/20 0.37
MMP3 P08254 2/20 0.37
MMP2 P08253 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PPARA Q07869 1/20 0.36

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
4-Methoxycinnamic Acid SCHEMBL4844856 0.93 THRB (0.46) CA2MAPK1TDP1TAS1R3TAS1R1
SCHEMBL5513066 0.85 MAPT (0.45) GRIK1ATMNPSR1MAPTTHRB
SCHEMBL7773761 0.82 ALOX5 (0.43) CA2MAPK1TDP1TAS1R3TAS1R1
SCHEMBL17627791 0.81 TDP1 (0.56) CA2TDP1TAS1R3TAS1R1PTPN1
SCHEMBL5198950 0.81 TDP1 (0.56) CA2TDP1TAS1R3TAS1R1PTPN1
SCHEMBL126604 0.81 TDP1 (0.56) CA2TDP1TAS1R3TAS1R1PTPN1
SCHEMBL9576946 0.79 TAS1R3 (0.46) TDP1TAS1R3TAS1R1PTPN1GRIK1
2-Ethylhexanoic Acid SCHEMBL5969968 0.78 TDP1 (0.66) TDP1TAS1R3TAS1R1GAAATM
SCHEMBL9556883 0.77 TAS1R3 (0.43) TDP1TAS1R3TAS1R1PTPN1GRIK1
4-Methoxycinnamic Acid SCHEMBL910634 0.76 TDP1 (0.62) TDP1TAS1R3TAS1R1GAAATM

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
EP-1352637-B1 HAIR GROWTH INHIBITORS AND COMPOSITIONS CONTAINING THE SAME SHISEIDO CO LTD (JP) 2009-07-01 EP disclosed