Dodecanoate

Dodecanoate

SCHEMBL20183472

CCCC(N)(C(=O)O)N(C)C.CCCCCCCCCCCC(=O)O.C[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

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
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41

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 SCHEMBL12544816 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL12544931 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL12545069 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
Oleic Acid SCHEMBL20183479 0.93 PPARG (0.49) PPARGPPARDPPARATSHRPTPN1
Palmitic Acid SCHEMBL21986547 0.91 GPR84 (0.45) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL21986530 0.91 GPR84 (0.45) GPR84PPARGPPARDPPARAHDAC11
Glycinebetaine SCHEMBL1959136 0.88 BBOX1 (0.35) TSHRALDH1A1APEX1LMNA
Palmitic Acid SCHEMBL20786788 0.87 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL3245114 0.81 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL8774854 0.81 GPR84 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10731009-B2 Cured silicone particles and cosmetic incorporating same therein DOW TORAY CO., LTD. (JP) 2020-08-04 US disclosed
EP-3327064-B1 CURED SILICONE PARTICLES AND COSMETIC INCORPORATING SAME THEREIN DOW TORAY CO LTD (JP) 2020-04-15 EP disclosed
US-20180215877-A1 CURED SILICONE PARTICLES AND COSMETIC INCORPORATING SAME THEREIN DOW TORAY CO., LTD. (JP) 2018-08-02 US disclosed
EP-3327064-A1 CURED SILICONE PARTICLES AND COSMETIC INCORPORATING SAME THEREIN Dow Corning Toray Co., Ltd. (JP) 2018-05-30 EP disclosed