Dodecanoate

Dodecanoate

SCHEMBL4651085

CC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.56
CA1 P00915 1/20 0.54
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
NFKB1 P19838 1/20 0.46
GPR84 Q9NQS5 1/20 0.44

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
Dodecanoate SCHEMBL10454074 1.00 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL18076263 0.96 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL28305504 0.96 FABP3 (0.56) FABP3CA1CES2CES1NFKB1
Myristic Acid SCHEMBL9245302 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL35315 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Heptanoate SCHEMBL8361326 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Palmitic Acid SCHEMBL2452648 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL4869587 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Nonanoate SCHEMBL8365974 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL900922 0.96 FABP3 (0.60) FABP3CA1CES2CES1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969029-A2 CROSSLINKED POLY(ARYLENE ETHER), METHOD FOR PREPARING THEM, AND ARTICLE COMPRISING THEM GENERAL ELECTRIC COMPANY (US) 2008-09-17 EP claimed
WO-2007055948-A2 CROSSLINKED POLY(ARYLENE ETHER), METHOD FOR PREPARING THEM, AND ARTICLE COMPRISING THEM GENERAL ELECTRIC COMPANY (US) 2007-05-18 WO claimed
US-20070106050-A1 Crosslinked poly(arylene ether) composition, method, and article CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-10 US claimed
US-5948853-A CONTAINING A ETHYLTRIACETOXYSILANE CROSSLINKER GENERAL ELECTRIC COMPANY (US) 1999-09-07 US claimed
US-5932650-A IRON CARBOXYLATE GENERAL ELECTRIC COMPANY (US) 1999-08-03 US claimed
JP-9310022-A None JP disclosed
EP-1969029-A2 CROSSLINKED POLY(ARYLENE ETHER), METHOD FOR PREPARING THEM, AND ARTICLE COMPRISING THEM GENERAL ELECTRIC COMPANY (US) 2008-09-17 EP disclosed
WO-2007055948-A2 CROSSLINKED POLY(ARYLENE ETHER), METHOD FOR PREPARING THEM, AND ARTICLE COMPRISING THEM GENERAL ELECTRIC COMPANY (US) 2007-05-18 WO disclosed
US-20070106050-A1 Crosslinked poly(arylene ether) composition, method, and article CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-10 US disclosed
EP-0905210-B1 Printable paper release compositions GEN ELECTRIC (US) 2004-03-10 EP disclosed
EP-0735086-B1 1-Component alkoxy curing RTV silicone sealant compositions GEN ELECTRIC (US) 2001-10-10 EP disclosed
US-6077611-A BLEND OF SILICONE AND POLYURETHANE GENERAL ELECTRIC COMPANY (US) 2000-06-20 US disclosed
US-5948853-A CONTAINING A ETHYLTRIACETOXYSILANE CROSSLINKER GENERAL ELECTRIC COMPANY (US) 1999-09-07 US disclosed
US-5932650-A IRON CARBOXYLATE GENERAL ELECTRIC COMPANY (US) 1999-08-03 US disclosed
EP-0905210-A1 Printable paper release compositions GENERAL ELECTRIC COMPANY (US) 1999-03-31 EP disclosed
JP-H09310022-A ONE-PACK TYPE ROOM TEMPERATURE VULCANIZABLE SILICONE SEALANT IMPROVED IN POT LIFE GENERAL ELECTRIC CO <GE> 1997-12-02 JP disclosed
EP-0735086-A2 1-Component alkoxy curing RTV silicone sealant compositions GENERAL ELECTRIC COMPANY (US) 1996-10-02 EP disclosed
US-5519104-A DIALKYLTIN DIALKANOATE CURING CATALYST GENERAL ELECTRIC COMPANY (US) 1996-05-21 US disclosed