Dodecanoate

Dodecanoate

SCHEMBL8210441

CCCCCCCCCCCC(=O)O.Cc1ccc(C)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.71
PPARG P37231 7/20 0.71
PPARD Q03181 7/20 0.71
PPARA Q07869 7/20 0.71
HDAC11 Q96DB2 5/20 0.71
TSHR P16473 4/20 0.71
PTPN1 P18031 3/20 0.71
FABP4 P15090 3/20 0.71
ALDH1A1 P00352 2/20 0.71
TLR2 O60603 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
KMT2A Q03164 2/20 0.71
ALOX15 P16050 2/20 0.71
HSD17B10 Q99714 2/20 0.71
SLC22A6 Q4U2R8 1/20 0.71
SLC22A8 Q8TCC7 1/20 0.71
MEN1 O00255 1/20 0.71
ESR1 P03372 1/20 0.71
PDE4A P27815 1/20 0.71
PDE3A Q14432 1/20 0.71

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
Nonanoate SCHEMBL28416062 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL28136494 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL7768893 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL28135719 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL11803275 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL11441774 1.00 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL28323131 0.98 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL28257656 0.98 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL9402979 0.98 AKR1B1 (0.70) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL11331040 0.92 GPR84 (0.65) 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
EP-0563024-B1 Percutaneous salve preparation in the form of an adhesive tape TOKO YAKUHIN KOGYO KK (JP) 2000-08-16 EP claimed
US-5419912-A Cardiovascular disorders TOKO YAKUHIN KOGYO CO., LTD. (JP) 1995-05-30 US claimed
EP-0563024-A1 Percutaneous salve preparation in the form of an adhesive tape TOKO YAKUHIN KOGYO Co., Ltd. (JP) 1993-09-29 EP claimed
CN-111183023-B Laminated tube 宇部兴产株式会社 2022-02-25 CN disclosed
CN-111183023-A Laminated tube 宇部兴产株式会社 2020-05-19 CN disclosed
EP-0563024-B1 Percutaneous salve preparation in the form of an adhesive tape TOKO YAKUHIN KOGYO KK (JP) 2000-08-16 EP disclosed
US-5419912-A Cardiovascular disorders TOKO YAKUHIN KOGYO CO., LTD. (JP) 1995-05-30 US disclosed
US-5419912-A Cardiovascular disorders TOKO YAKUHIN KOGYO CO., LTD. (JP) 1995-05-30 US disclosed
EP-0563024-A1 Percutaneous salve preparation in the form of an adhesive tape TOKO YAKUHIN KOGYO Co., Ltd. (JP) 1993-09-29 EP disclosed