Heptanoate

Heptanoate

SCHEMBL4895595

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
PPARG P37231 7/20 0.53
PPARD Q03181 7/20 0.53
PPARA Q07869 7/20 0.53
HDAC11 Q96DB2 5/20 0.53
TSHR P16473 4/20 0.53
PTPN1 P18031 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TLR2 O60603 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FABP4 P15090 2/20 0.53
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 2/20 0.53
MEN1 O00255 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
ESR1 P03372 1/20 0.53
ALOX15 P16050 1/20 0.53
PDE4A P27815 1/20 0.53

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
Heptadecanoic Acid SCHEMBL28700376 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8950265 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL323989 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL15665487 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Azelaic Acid SCHEMBL7852023 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Pentadecanoic Acid SCHEMBL17668919 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL15665018 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL15665264 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL22721294 1.00 GPR84 (0.53) GPR84PPARGPPARDPPARAHDAC11
Tridecanoate SCHEMBL29378854 1.00 GPR84 (0.53) 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
US-8252371-B2 Injecting a foam support containing corosion resistant material; railroad wagons; one step SOCIETE NATIONALE DES CHEMINS DE FER FRANCAIS (FR) 2012-08-28 US disclosed
US-20080199608-A1 Method for the anticorrosive Treatment of Hollow Bodies, Method for Producing a Metallic Structure Treated According to Said Method, and Method for Maintaining the Structure SOCIETE NATIONALE DES CHEMINS DE FER FRANCAIS (FR) 2008-08-21 US disclosed