SCHEMBL2552304

SCHEMBL2552304

COCCCCCCCCCCCCC=CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PTPN1 P18031 2/20 0.45
HCAR2 Q8TDS4 2/20 0.42
TBXAS1 P24557 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL700035 1.00 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL2552670 1.00 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL2549349 1.00 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL700036 1.00 ALDH1A1 (0.50) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL16831416 0.92 ALDH1A1 (0.43) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL5010354 0.92 ALDH1A1 (0.43) ALDH1A1PTPN1HCAR2TBXAS1LPAR3
SCHEMBL9423105 0.86 TBXAS1 (0.39) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL7543228 0.85 PTPN1 (0.41) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL7543224 0.85 PTPN1 (0.41) ALDH1A1PTPN1HCAR2TBXAS1LPAR2
SCHEMBL4888380 0.83

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
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO disclosed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO disclosed