SCHEMBL6158470

SCHEMBL6158470

CC(C)(O)CCCCc1cccc(OCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MGLL Q99685 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
FFAR1 O14842 1/20 0.35
MAOB P27338 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
VDR P11473 1/20 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
SCHEMBL6156487 0.86 CYSLTR2 (0.50) CYP4F2CYP4A11PPARGPPARAFFAR1
SCHEMBL6878844 0.84 MTNR1A (0.41) MTNR1AMTNR1BFFAR1CYSLTR2CYSLTR1
SCHEMBL2107016 0.83 VDR (0.48) NOS1NOS2CYP4F2CYP4A11MGLL
SCHEMBL6884926 0.80 FFAR1 (0.34) FFAR1VDR
SCHEMBL6155762 0.79 CYSLTR2 (0.36) CYP4F2CYP4A11FFAR1MAOBCYSLTR2
SCHEMBL6155133 0.79 CYSLTR2 (0.37) FFAR1CYSLTR2CYSLTR1VDR
SCHEMBL6885983 0.76 CYP3A4 (0.46) MTNR1AMTNR1BPPARGPPARA
SCHEMBL2107635 0.76 MGLL (0.46) CYP4F2CYP4A11MGLLPPARGPPARA
SCHEMBL2107020 0.75 CYP4F2 (0.46) CYP4F2CYP4A11MGLLPPARGPPARA
SCHEMBL6155252 0.74 MAOB (0.52) MAOB

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