Decanoic Acid

Decanoic Acid

SCHEMBL5874512

C1CNCCN1.CCCCCCCCCC(=O)O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Decanoic Acid. 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
ESR1 known ✓ P03372 1/20 0.74
GPR84 Q9NQS5 7/20 0.74
PPARG P37231 7/20 0.74
PPARD Q03181 7/20 0.74
PPARA Q07869 7/20 0.74
HDAC11 Q96DB2 5/20 0.74
TSHR P16473 4/20 0.74
PTPN1 P18031 3/20 0.74
FABP4 P15090 3/20 0.74
ALDH1A1 P00352 2/20 0.74
TLR2 O60603 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 2/20 0.74
ALOX15 P16050 2/20 0.74
HSD17B10 Q99714 2/20 0.74
SLC22A6 Q4U2R8 1/20 0.74
SLC22A8 Q8TCC7 1/20 0.74
MEN1 O00255 1/20 0.74
PDE4A P27815 1/20 0.74
PDE3A Q14432 1/20 0.74

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
Octanoic Acid SCHEMBL5875008 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL30434420 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL30516884 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL5875244 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5874392 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL5874227 1.00 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL5874310 0.98 AKR1B1 (0.73) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL3263956 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL8500715 0.92 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL8502012 0.92 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed