Dodecanoate

Dodecanoate

SCHEMBL27742009

CCCCCCCCCCCC(=O)O.Oc1ccc(C=CBr)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.50
▸ PPARG P37231 7/20 0.50
▸ PPARD Q03181 7/20 0.50
▸ PPARA Q07869 7/20 0.50
▸ HSD17B3 P37058 6/20 0.50
▸ HDAC11 Q96DB2 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ PTPN1 P18031 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TLR2 O60603 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ FABP4 P15090 2/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PDE3A Q14432 1/20 0.50

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
Palmitic Acid SCHEMBL31285120 0.85 ESR1 (0.62) GPR84PPARGPPARDPPARAHSD17B3
Stearic Acid SCHEMBL27900293 0.84 ALB (0.67) GPR84PPARGPPARDPPARAHSD17B3
Resveratrol SCHEMBL27882849 0.84 ALB (0.67) GPR84PPARGPPARDPPARAHSD17B3
Palmitic Acid SCHEMBL10942082 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Octanoic Acid SCHEMBL10937199 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Dodecanoate SCHEMBL10943656 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Dodecanoate SCHEMBL10939868 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Stearic Acid SCHEMBL10396577 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Undecanoate SCHEMBL2382548 0.84 GPR84 (0.71) GPR84PPARGPPARDPPARAHSD17B3
Hexanoate SCHEMBL10408135 0.82 AKR1B1 (0.70) GPR84PPARGPPARDPPARAHSD17B3

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
CN-101284779-B Preparation method of (E)-4-(beta-bromovinyl)phenol ester UNIV TONGJI 2011-05-25 — — CN disclosed
CN-101284779-A Preparation method of (E)-4-(beta-bromovinyl)phenol ester UNIV TONGJI (CN) 2008-10-15 — — CN disclosed
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