SCHEMBL6154985

SCHEMBL6154985

CCC(O)(CC)CCCC(C)c1cccc(COc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
MAOB P27338 4/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
BCHE P06276 1/20 0.31
ALOX5 P09917 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
SCHEMBL6155762 0.92 CYSLTR2 (0.36) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL6155407 0.85 CYSLTR2 (0.49) PTGER3CYSLTR2CYSLTR1MRGPRX4FFAR1
SCHEMBL6878849 0.84 CYSLTR2 (0.39) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL2106606 0.84 VDR (0.43) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL6155133 0.80 CYSLTR2 (0.37) PTGER3CYSLTR2CYSLTR1FFAR1ALOX5
SCHEMBL5968372 0.78 PTGER3 (0.41) PTGER3CYSLTR2CYSLTR1FFAR1BCHE
SCHEMBL2106608 0.78 MRGPRX4 (0.42) PTGER3MRGPRX4FFAR1ALOX5
SCHEMBL2785501 0.76 VDR (0.49) PTGER3CYSLTR2CYSLTR1FFAR1BCHE
SCHEMBL2107787 0.76 VDR (0.40) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL6154987 0.74 PTGER3 (0.34) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4

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