Heptanoate

Heptanoate

SCHEMBL4053087

C=CCCCCCC.CCCCCCC(=O)O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
ABCC4 O15439 1/20 0.80
PPARG P37231 9/20 0.71
PPARD Q03181 9/20 0.71
PPARA Q07869 9/20 0.71
PTPN1 P18031 5/20 0.71
FABP4 P15090 4/20 0.71
TERT O14746 3/20 0.71
HSD17B10 Q99714 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
BLM P54132 2/20 0.71
ALOX15 P16050 2/20 0.71
FABP5 Q01469 2/20 0.71
KMT2A Q03164 2/20 0.71
GMNN O75496 1/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
CYP1A2 P05177 1/20 0.71
POLB P06746 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
Hexanoate SCHEMBL29051050 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Hexanoate SCHEMBL17962235 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Stearic Acid SCHEMBL4022742 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
SCHEMBL3233140 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Hexanoate SCHEMBL16418126 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Palmitic Acid SCHEMBL15537187 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Behenic Acid SCHEMBL19945952 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Hexanoate SCHEMBL413538 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Undecylenic Acid SCHEMBL10818405 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA
Octanoic Acid SCHEMBL28943415 1.00 MAPT (0.80) MAPTABCC4PPARGPPARDPPARA

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
WO-2009109857-A1 METHOD FOR PRODUCING CARBOXYLIC ACIDS BY OXIDATIVE CLEAVAGE OF UNSATURATED COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2009-09-11 WO disclosed