SCHEMBL6154913

SCHEMBL6154913

C/C(=C/CCC(=O)O)c1cccc(SCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
APEX1 P27695 1/20 0.37
TBXAS1 P24557 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SIRT2 Q8IXJ6 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LTB4R Q15722 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL6154908 1.00 FFAR1 (0.38) FFAR1APEX1TBXAS1PTGDR2SIRT2
SCHEMBL6154924 1.00 FFAR1 (0.38) FFAR1APEX1TBXAS1PTGDR2SIRT2
SCHEMBL6154920 0.82 LTB4R (0.42) FFAR1APEX1TBXAS1SIRT2MEN1
SCHEMBL6155408 0.81 VDR (0.36) SIRT2LTB4R
SCHEMBL6155415 0.81 VDR (0.36) SIRT2LTB4R
SCHEMBL6155400 0.81 VDR (0.36) SIRT2LTB4R
SCHEMBL6879977 0.71 TBXAS1 (0.41) APEX1TBXAS1HSD17B10ALDH1A1HPGD
SCHEMBL6879986 0.71 TBXAS1 (0.41) APEX1TBXAS1HSD17B10ALDH1A1HPGD
SCHEMBL6879981 0.71 TBXAS1 (0.41) APEX1TBXAS1HSD17B10ALDH1A1HPGD
SCHEMBL6154255 0.71 AKT1 (0.44) APEX1TBXAS1MEN1KMT2AHSD17B10

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US 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