SCHEMBL6884483

SCHEMBL6884483

CCC(O)(CC)CCOCCCc1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.48
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
FFAR1 O14842 2/20 0.36
BCHE P06276 2/20 0.36
SMPD1 P17405 1/20 0.36
ALOX5 P09917 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2107016 0.81 VDR (0.48) VDRCYP4F2CYP4A11SMN1; SMN2TSHR
SCHEMBL6155122 0.80 VDR (0.48) VDRSMN1; SMN2KDM4EBCHE
SCHEMBL6156099 0.79 VDR (0.48) VDRSMN1; SMN2KDM4EBCHE
SCHEMBL6156380 0.77 VDR (0.50) VDRALOX5MAOB
SCHEMBL4169944 0.77 VDR (0.50) VDRALOX5MAOB
SCHEMBL6155936 0.77 VDR (0.48) VDRFFAR1ALOX5MAOB
SCHEMBL2785501 0.76 VDR (0.49) VDRFFAR1BCHEALOX5
SCHEMBL6158285 0.76 VDR (0.49) VDRPPARGPPARAMAOB
SCHEMBL6155129 0.76 VDR (0.48) VDRNOS1NOS2ALOX5
SCHEMBL6565057 0.75 VDR (0.53) VDRSMN1; SMN2TSHRFFAR1ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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