SCHEMBL7777202

SCHEMBL7777202

CC(CCCCCC(C)(C)O)c1ccccc1OCc1ccc(CO)c(CO)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.31
ACLY P53396 1/20 0.31
ABCB1 P08183 1/20 0.31
ATM Q13315 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30

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
SCHEMBL7778326 0.89 VDR (0.38) VDRPPARGABCB1ATMNISCH
SCHEMBL7777000 0.86 VDR (0.39) VDRALDH1A1LMNAABCB1ATM
SCHEMBL6155242 0.80 VDR (0.44) VDR
SCHEMBL6155571 0.77 VDR (0.46) VDR
SCHEMBL2107787 0.72 VDR (0.40) VDRMRGPRX4PTGER3
SCHEMBL6155503 0.71 VDR (0.47) VDRPTGER3
SCHEMBL2107016 0.70 VDR (0.48) VDRPPARGABCB1
SCHEMBL6155609 0.69 VDR (0.48) VDRPTGER3
SCHEMBL2109172 0.69 VDR (0.41) VDR
SCHEMBL6155463 0.67 VDR (0.44) VDRALDH1A1MRGPRX4RXRARXRB

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 2 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 disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed