Dodecanoate

Dodecanoate

SCHEMBL7708134

CCCCCCCCCCCC(=O)O.CCCCNC(=O)OC#CCI

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
PLA2G2A P14555 1/20 0.48
PLA2G4A P47712 1/20 0.48
PTPN7 P35236 3/20 0.46
HMGCR P04035 1/20 0.46
GPR84 Q9NQS5 6/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL155558 0.89 ACHE (0.50)
Ethylene Glycol SCHEMBL4172824 0.84 ACHE (0.50)
Dodecanoate SCHEMBL28870307 0.71 EPHX2 (0.76) EPHX2GPR84PPARGPPARDPPARA
SCHEMBL2829248 0.71 ACHE (0.55)
SCHEMBL8973356 0.71 EPHX2 (0.84) EPHX2PLA2G2APLA2G4A
Hexanoate SCHEMBL28333251 0.70 AKR1B1 (0.67) EPHX2PLA2G2APLA2G4AGPR84PPARG
Dodecanoate SCHEMBL3180390 0.70 GPR84 (0.94) PTPN7HMGCRGPR84PPARGPPARD
Palmitic Acid SCHEMBL7063777 0.70 GPR84 (0.94) PTPN7HMGCRGPR84PPARGPPARD
Pentadecanoic Acid SCHEMBL11895041 0.70 GPR84 (0.94) PTPN7HMGCRGPR84PPARGPPARD
Myristic Acid SCHEMBL3768969 0.70 GPR84 (0.94) PTPN7HMGCRGPR84PPARGPPARD

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-1230909-A1 Sun protection product JOHNSON & JOHNSON GmbH (DE) 2002-08-14 EP disclosed