Dodecanoate

Dodecanoate

SCHEMBL7202371

CCCCCCCCCCCC(=O)O.CNCCS(=O)(=O)O.[KH]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 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
HSD17B10 Q99714 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
Stearic Acid SCHEMBL20162214 0.98 GPR84 (0.57) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL7706570 0.98 GPR84 (0.57) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL7191490 0.97 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Oleic Acid SCHEMBL20162207 0.90 TERT (0.64) PPARGPPARDPPARAPTPN1TDP1
Dodecanoate SCHEMBL7200093 0.90 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8742961 0.87 GPR84 (0.45) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL28126903 0.85 GPR84 (0.57) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28645621 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL28645376 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL30148036 0.84 GPR84 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602848-B2 Contains alkali metal N-methyltaurate, alkali metal taurate or alkali metal hypotaurate salt of specific organic acid or organic alkali N-methyltaurate, organic alkali taurate or organic alkali hypotaurate salt of specific organic acid SHISEIDO COMPANY, LTD. (JP) 2003-08-05 US disclosed
US-6355608-B1 DETERGENT COMPOSITION COMPRISING AQUEOUS SOLUTION OF ALKALI METAL N-METHYLTAURATE SALT OF FATTY ACID, IN CONCENTRATION OF AT LEAST 50 MOLE PERCENT BASED ON TOTAL MOLES OF ALKALI METAL SALT OF FATTY ACID PRESENT SHISEIDO CO., LTD. (JP) 2002-03-12 US disclosed
US-6344435-B1 Detergent composition SHISEIDO CO., LTD. (JP) 2002-02-05 US disclosed