SCHEMBL6154774

SCHEMBL6154774

CC(C)(O)CCCCCCc1cccc(C=Cc2cc(OC3CCCCO3)cc(OC3CCCCO3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
VDR P11473 9/20 0.39
CYP24A1 Q07973 2/20 0.39
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 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
SCHEMBL6156458 0.86 HMGCR (0.40) HMGCRVDRCYP24A1DHFRHSD11B1
SCHEMBL6158244 0.85 PPARA (0.39) DHFR
SCHEMBL6886057 0.84 CYP4F2 (0.39) DHFRKDM4EALDH1A1HPGDHDAC4
SCHEMBL6878864 0.83 HMGCR (0.35) HMGCRDHFR
SCHEMBL6160284 0.78 HMGCR (0.32) HMGCRDHFR
SCHEMBL6155888 0.76 HSP90AA1 (0.38) HMGCRDHFRKDM4CKDM4EALDH1A1
SCHEMBL2106841 0.76 HMGCR (0.56) HMGCRVDRCYP24A1KDM4EALDH1A1
SCHEMBL6155055 0.76 HMGCR (0.56) HMGCRVDRCYP24A1KDM4EALDH1A1
SCHEMBL2106842 0.76 HMGCR (0.56) HMGCRVDRCYP24A1KDM4EALDH1A1
SCHEMBL6155060 0.76 HMGCR (0.56) HMGCRVDRCYP24A1KDM4EALDH1A1

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