Dodecanoate

Dodecanoate

SCHEMBL6915214

CCCCCCCCCCCC(=O)O.O=S(=O)(O)c1ccccc1.[NaH]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TBXA2R P21731 1/20 0.56
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 5/20 0.55
PTPN1 P18031 3/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PDE4A P27815 1/20 0.55
PDE3A Q14432 1/20 0.55

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 SCHEMBL7290854 0.98 ALDH1A1 (0.58) ALDH1A1TBXA2RGPR84PPARGPPARD
Octanoic Acid SCHEMBL28645893 0.98 ALDH1A1 (0.58) ALDH1A1TBXA2RGPR84PPARGPPARD
Stearic Acid SCHEMBL27783966 0.98 ALDH1A1 (0.58) ALDH1A1TBXA2RGPR84PPARGPPARD
Valeric Acid SCHEMBL27883513 0.92 TSHR (0.57) ALDH1A1TBXA2RGPR84PPARGPPARD
Azelaic Acid SCHEMBL10346760 0.90 TBXA2R (0.67) ALDH1A1TBXA2RHDAC11TSHRSMN1; SMN2
SCHEMBL27755832 0.89 TSHR (0.50) ALDH1A1TBXA2RTSHRKMT2AMEN1
SCHEMBL27573877 0.89 TSHR (0.50) ALDH1A1TBXA2RTSHRKMT2AMEN1
Heptane SCHEMBL18585529 0.88 SMN1; SMN2 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CES2
Octane SCHEMBL8591856 0.88 SMN1; SMN2 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CES2
SCHEMBL29109146 0.88 SMN1; SMN2 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088853-B1 Mg-Al-based hydrotalcite-type particles, chlorine-containing resin stabilizer and process for producing the particles TODA KOGYO CORP (JP) 2004-10-13 EP disclosed
US-6413639-B1 LARGE PLATE SURFACE DIAMETER AND EXCELLENT STABILITY AND HEAT RESISTANCE TODA KOGYO CORPORATION (JP) 2002-07-02 US disclosed
EP-1088853-A1 Mg-Al-based hydrotalcite-type particles, chlorine-containing resin stabilizer and process for producing the particles Toda Kogyo Corporation (JP) 2001-04-04 EP disclosed
EP-0301509-B1 Anti-blocking agents and compositions for synthetic resin films KYOWA CHEM IND CO LTD (JP) 1995-04-19 EP disclosed
EP-0301509-A1 Anti-blocking agents and compositions for synthetic resin films KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1989-02-01 EP disclosed