Heptanoate

Heptanoate

SCHEMBL6575867

CC(C)C(O)C(C)(C)CO.CCCCCCC(=O)O.CCCCCCC(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55

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 SCHEMBL6536006 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL29735398 0.92 LMNA (0.42) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL10941071 0.92 LMNA (0.42) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL29908145 0.86 FFAR3 (0.48) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL547290 0.86 FFAR3 (0.48) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL28420406 0.86 FFAR3 (0.48) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL10815935 0.81 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Propionic Acid SCHEMBL3799269 0.81 FFAR3 (0.42) TSHR
Stearic Acid SCHEMBL9715698 0.79 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL28403815 0.79 GPR84 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897416-B1 REFRIGERATION OILS COMPRISING ESTERS OF HINDERED ALCOHOLS EXXONMOBIL OIL CORP (US) 2004-05-06 EP disclosed
US-5705086-A HYDROFLUOROCARBONS MOBIL OIL CORPORATION (US) 1998-01-06 US disclosed