Octanoic Acid

Octanoic Acid

SCHEMBL8974786

CCCCCCCC(=O)O.N#Cc1c(Br)cc(O)cc1Br

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.49
HMGCR P04035 2/20 0.49
GPR84 Q9NQS5 7/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 7/20 0.49
PPARA Q07869 7/20 0.49
HDAC11 Q96DB2 5/20 0.49
TSHR P16473 4/20 0.49
PTPN1 P18031 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TLR2 O60603 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
FABP4 P15090 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MEN1 O00255 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE4A P27815 1/20 0.49

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
Octanoic Acid SCHEMBL27383260 0.82 PTPN7 (0.45) PTPN7HMGCRGPR84PPARGPPARD
Bromoxynil SCHEMBL161975 0.80 KMT2A (0.54) PTPN7HMGCRGPR84PPARGPPARD
Bromoxynil SCHEMBL5927472 0.80 KMT2A (0.54) PTPN7HMGCRGPR84PPARGPPARD
Octanoic Acid SCHEMBL17956166 0.79 GPR84 (0.71) PTPN7GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL11546991 0.79 GPR84 (0.71) PTPN7GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL17956167 0.79 GPR84 (0.71) PTPN7GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL27269167 0.75 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL2382548 0.72 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL10937199 0.72 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL10939868 0.72 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224846-B1 AQUEOUS PLANT PROTECTION EMULSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-03 EP claimed
US-5512534-A OIL IN WATER EMULSIONS HAVING INTERFACES CONTAINING LIQUID CRYSTAL AMINO ACID PHOSPHATE SALTS WHICH PREVENT THE HYDROLYSIS OF SENSITIVE MATERIALS IN THE OIL PHASE HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0118759-B1 FINELY DISPERSANT LIQUID PLANT PROTECTING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed
US-4966621-A Finely dispersed liquid plant protection agents HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0118759-A2 Finely dispersant liquid plant protecting agents HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed