SCHEMBL6154207

SCHEMBL6154207

CCOCOCc1cc(C=Cc2cccc(CCCCCC(C)(C)O)c2)cc(OCOCC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
PPARA Q07869 8/20 0.36
PPARG P37231 5/20 0.36
VDR P11473 7/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.34
CYP24A1 Q07973 2/20 0.34
LCK P06239 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6154202 1.00 HMGCR (0.44) HMGCRPPARAPPARGVDRKDM4E
SCHEMBL6156685 0.99 HMGCR (0.45) HMGCRPPARAPPARGVDRKDM4E
SCHEMBL6156678 0.99 HMGCR (0.45) HMGCRPPARAPPARGVDRKDM4E
SCHEMBL6886288 0.92 HMGCR (0.48) HMGCRPPARAPPARGVDRKDM4E
SCHEMBL6886291 0.92 HMGCR (0.48) HMGCRPPARAPPARGVDRKDM4E
SCHEMBL6156825 0.85 PPARA (0.43) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6156820 0.85 PPARA (0.43) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6156193 0.83 PPARA (0.41) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6156187 0.83 PPARA (0.41) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6154204 0.83 HMGCR (0.40) HMGCRPPARAPPARGVDRKDM4E

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