SCHEMBL6155540

SCHEMBL6155540

CC(C)(O)CCCCc1ccc(C=Cc2ccc(C(O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
HMGCR P04035 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TNNC1 P63316 6/20 0.36
TRPM2 O94759 2/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
TRPA1 O75762 1/20 0.35
PLA2G1B P04054 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP24A1 Q07973 3/20 0.35
VDR P11473 1/20 0.35
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL2107468 0.99 SPHK1 (0.40) SPHK1SPHK2HMGCRLMNAPKM
SCHEMBL6155341 0.87 HMGCR (0.54) HMGCRLMNAPKMHTTPPARG
SCHEMBL2108299 0.86 HMGCR (0.53) HMGCRLMNAPKMHTTPPARG
SCHEMBL15559603 0.82 ESR1 (0.50) HMGCRLMNAKDM4EALDH1A1ESR1
SCHEMBL6154687 0.79 PTGS1 (0.47) HMGCRLMNAPKMHTTPPARG
SCHEMBL6154690 0.79 PTGS1 (0.47) HMGCRLMNAPKMHTTPPARG
SCHEMBL6154984 0.78 PTGS1 (0.46) HMGCRLMNAPKMHTTPPARG
SCHEMBL6154979 0.78 PTGS1 (0.46) HMGCRLMNAPKMHTTPPARG
SCHEMBL2106866 0.77 HMGCR (0.55) HMGCRCYP24A1VDR
SCHEMBL6155531 0.76 HMGCR (0.41) SPHK1SPHK2HMGCRPPARGPPARA

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