Dodecanoate

Dodecanoate

SCHEMBL4447099

CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[SnH]Cc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59

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
Stearic Acid SCHEMBL28201794 0.86 GPR84 (0.63) MAPTRXFP1GPR84PPARGPPARD
Dodecanoate SCHEMBL673996 0.85 MAPT (0.61) MAPTRXFP1GPR84PPARGPPARD
Stearic Acid SCHEMBL11045270 0.85 MAPT (0.61) MAPTRXFP1GPR84PPARGPPARD
Octanoic Acid SCHEMBL11522036 0.84 MEN1 (0.64) MAPTRXFP1GPR84PPARGPPARD
Dodecanoate SCHEMBL28105067 0.84 GPR84 (0.61) MAPTRXFP1GPR84PPARGPPARD
Stearic Acid SCHEMBL27866531 0.84 MAPT (0.76) MAPTRXFP1GPR84PPARGPPARD
Myristic Acid SCHEMBL27930372 0.84 GPR84 (0.61) MAPTRXFP1GPR84PPARGPPARD
Decanoic Acid SCHEMBL6362431 0.84 GPR84 (0.61) MAPTRXFP1GPR84PPARGPPARD
Hexanoate SCHEMBL27672924 0.84 AKR1B1 (0.61) MAPTRXFP1GPR84PPARGPPARD
Nonanoate SCHEMBL21603114 0.83 GPR84 (0.59) MAPTRXFP1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed