SCHEMBL7589866

SCHEMBL7589866

CCCCCC#CCC=CCC=CCCCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.71
F7 P08709 5/20 0.71
F3 P13726 5/20 0.71
PPARD Q03181 5/20 0.71
PPARA Q07869 5/20 0.71
FFAR1 O14842 3/20 0.71
PTGS1 P23219 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
ESR1 P03372 1/20 0.71
SRD5A2 P31213 1/20 0.71
CASP6 P55212 1/20 0.71
ALDH1A1 P00352 5/20 0.69
FABP4 P15090 4/20 0.69
HSD17B10 Q99714 4/20 0.69
LMNA P02545 3/20 0.69
CYP19A1 P11511 3/20 0.69
ALOX15 P16050 3/20 0.69
NR4A2 P43354 3/20 0.69
KDM4E B2RXH2 2/20 0.69
CYP3A4 P08684 2/20 0.69

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
SCHEMBL7594655 1.00 PPARG (0.71) PPARGF7F3PPARDPPARA
SCHEMBL31265312 0.96 PPARG (0.69) PPARGF7F3PPARDPPARA
SCHEMBL5492963 0.96 PPARG (0.69) PPARGF7F3PPARDPPARA
SCHEMBL5492961 0.96 PPARG (0.69) PPARGF7F3PPARDPPARA
SCHEMBL5492958 0.96 PPARG (0.69) PPARGF7F3PPARDPPARA
SCHEMBL1374589 0.94 PTPN7 (0.70) PPARGF7F3PPARDPPARA
SCHEMBL1374586 0.94 PTPN7 (0.70) PPARGF7F3PPARDPPARA
SCHEMBL1738166 0.94 PTPN7 (0.70) PPARGF7F3PPARDPPARA
SCHEMBL269349 0.94 PTPN7 (0.70) PPARGF7F3PPARDPPARA
SCHEMBL41374 0.94 PTPN7 (0.70) PPARGF7F3PPARDPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246932-A1 CONJUGATED FATTY ACIDS AND RELATED COMPOUNDS, AND METHOD FOR THEIR ENZYMATIC PREPARATION Natural ASA (NO) 2002-10-09 EP claimed
WO-2001044485-A1 CONJUGATED FATTY ACIDS AND RELATED COMPOUNDS, AND METHOD FOR THEIR ENZYMATIC PREPARATION NATURAL ASA (NO) 2001-06-21 WO claimed
EP-1246932-A1 CONJUGATED FATTY ACIDS AND RELATED COMPOUNDS, AND METHOD FOR THEIR ENZYMATIC PREPARATION Natural ASA (NO) 2002-10-09 EP disclosed
US-20010023259-A1 Conjugated fatty acids and related compounds NATURAL ASA 2001-09-20 US disclosed
WO-2001044485-A1 CONJUGATED FATTY ACIDS AND RELATED COMPOUNDS, AND METHOD FOR THEIR ENZYMATIC PREPARATION NATURAL ASA (NO) 2001-06-21 WO disclosed