SCHEMBL6155533

SCHEMBL6155533

CC(C)(O)CCCCc1ccc(C=Cc2ccc(CO)c(CO)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
SPHK1 Q9NYA1 2/20 0.36
SPHK2 Q9NRA0 1/20 0.36
CYP24A1 Q07973 2/20 0.35
VDR P11473 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TNNC1 P63316 6/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
TRPM2 O94759 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32

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
SCHEMBL6155531 1.00 HMGCR (0.41) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL2107466 0.99 HMGCR (0.40) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL2107463 0.99 HMGCR (0.40) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6154895 0.90 HMGCR (0.39) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6155141 0.90 MMP2 (0.43) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6155147 0.90 MMP2 (0.43) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6154891 0.90 HMGCR (0.39) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6155863 0.88 MMP2 (0.42) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6155861 0.88 MMP2 (0.42) HMGCRSPHK1SPHK2CYP24A1VDR
SCHEMBL6155327 0.88 HMGCR (0.54) HMGCRCYP24A1VDRAKR1C3AKR1C2

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 6 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-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