Dodecanoate

Dodecanoate

SCHEMBL6130627

CCCCCCCCCCCC(=O)O.NC(N)=O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.85
PPARG P37231 7/20 0.85
PPARD Q03181 7/20 0.85
PPARA Q07869 7/20 0.85
HDAC11 Q96DB2 5/20 0.85
TSHR P16473 4/20 0.85
PTPN1 P18031 3/20 0.85
FABP4 P15090 3/20 0.85
ALDH1A1 P00352 2/20 0.85
TLR2 O60603 2/20 0.85
TDP1 Q9NUW8 2/20 0.85
KMT2A Q03164 2/20 0.85
ALOX15 P16050 2/20 0.85
HSD17B10 Q99714 2/20 0.85
SLC22A6 Q4U2R8 1/20 0.85
SLC22A8 Q8TCC7 1/20 0.85
MEN1 O00255 1/20 0.85
ESR1 P03372 1/20 0.85
PDE4A P27815 1/20 0.85
PDE3A Q14432 1/20 0.85

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
Heptanoate SCHEMBL1180258 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL825467 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Pentadecanoic Acid SCHEMBL825468 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL1179754 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL9441466 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL27614355 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28124674 0.95 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL9164221 0.95 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL27836399 0.95 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL26611758 0.95 GPR84 (0.85) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106589959-A Ultralow-density silicone rubber foam material and preparation method thereof 青岛科技大学 2017-04-26 CN claimed
CN-106589959-A Ultralow-density silicone rubber foam material and preparation method thereof 青岛科技大学 2017-04-26 CN disclosed
EP-1436410-A4 USE OF HCV CORE ANTIGEN ASSAY FOR SCREENING OF ANTI-VIRAL COMPOUNDS ORTHO CLINICAL DIAGNOSTICS INC (US) 2005-04-06 EP disclosed
EP-1436410-A1 USE OF HCV CORE ANTIGEN ASSAY FOR SCREENING OF ANTI-VIRAL COMPOUNDS Ortho-Clinical Diagnostics, Inc. (US) 2004-07-14 EP disclosed
WO-2003025209-A1 USE OF HCV CORE ANTIGEN ASSAY FOR SCREENING OF ANTI-VIRAL COMPOUNDS ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2003-03-27 WO disclosed
WO-2003025210-A1 USE OF HCV CORE ANTIGEN ASSAY FOR SCREENING OF ANTI-VIRAL COMPOUNDS ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2003-03-27 WO disclosed
EP-0399554-B1 Foamable silicone composition, silicone sponge, and silicone sponge roll SHINETSU CHEMICAL CO (JP) 1995-03-08 EP disclosed
US-5120385-A Blend with filler, azodicarbonamide foaming agent and diacyl peroxide SHIN ETSU CHEMICAL COMPANY, LTD. (JP) 1992-06-09 US disclosed
EP-0399554-A2 Foamable silicone composition, silicone sponge, and silicone sponge roll SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-11-28 EP disclosed