SCHEMBL6155503

SCHEMBL6155503

CCC(O)(CC)CCCCCC(C)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.47
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
FFAR1 O14842 3/20 0.35
ALOX5 P09917 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
PTGER3 P43115 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6155609 0.99 VDR (0.48) VDRCYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL2785501 0.97 VDR (0.49) VDRCYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL6155242 0.90 VDR (0.44) VDRCYSLTR2CYSLTR1FFAR1SPHK1
SCHEMBL2106606 0.89 VDR (0.43) VDRCYSLTR2CYSLTR1PTGER3
SCHEMBL6155571 0.87 VDR (0.46) VDRCYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL6155463 0.86 VDR (0.44) VDRFFAR1TSHR
SCHEMBL6155510 0.85 MAPK1 (0.39) CYSLTR2CYSLTR1FFAR1ALOX5TP53
SCHEMBL6155616 0.84 ALOX5 (0.39) CYSLTR2CYSLTR1FFAR1ALOX5TP53
SCHEMBL2785504 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1FFAR1ALOX5SPHK1
SCHEMBL5968372 0.81 PTGER3 (0.41) CYSLTR2CYSLTR1FFAR1ALOX5PTGER3

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 8 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 claimed
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 claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
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