SCHEMBL6156403

SCHEMBL6156403

CCOCOc1cc(C=Cc2cccc(C=CCCCCC(=O)O)c2)cc(OCOCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.47
PPARG P37231 6/20 0.47
PPARD Q03181 5/20 0.47
FFAR1 O14842 5/20 0.47
TBXAS1 P24557 1/20 0.46
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
ALB P02768 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
DRD3 P35462 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
EPOR P19235 1/20 0.37
ESR1 P03372 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL6156397 1.00 PPARA (0.47) PPARAPPARGPPARDFFAR1TBXAS1
SCHEMBL6155441 0.97 PPARA (0.45) PPARAPPARGPPARDFFAR1TBXAS1
SCHEMBL6155450 0.97 PPARA (0.45) PPARAPPARGPPARDFFAR1TBXAS1
SCHEMBL6155578 0.92 KDM4E (0.44) PPARAPPARGPPARDFFAR1LTB4R
SCHEMBL6155585 0.92 KDM4E (0.44) PPARAPPARGPPARDFFAR1LTB4R
SCHEMBL6887533 0.89 HDAC1 (0.40) PPARAPPARGPPARDFFAR1LTB4R
SCHEMBL6887538 0.89 HDAC1 (0.40) PPARAPPARGPPARDFFAR1LTB4R
SCHEMBL6155185 0.86 ABL1 (0.38) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL6155196 0.86 ABL1 (0.38) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL6885040 0.86 PPARG (0.39) PPARAPPARGPPARDFFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed