SCHEMBL6155332

SCHEMBL6155332

CC(C)(O)CCCCc1cccc(C=Cc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.54
PLAU P00749 1/20 0.37
VDR P11473 9/20 0.36
CYP24A1 Q07973 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
ALOX5 P09917 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 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
SCHEMBL6155327 1.00 HMGCR (0.54) HMGCRPLAUVDRCYP24A1CYP4F2
SCHEMBL2108296 0.99 HMGCR (0.53) HMGCRPLAUVDRCYP24A1CYP4F2
SCHEMBL2108294 0.99 HMGCR (0.53) HMGCRPLAUVDRCYP24A1CYP4F2
SCHEMBL6155530 0.90 HMGCR (0.52) HMGCRPLAUVDRCYP24A1AKR1C3
SCHEMBL6155538 0.90 HMGCR (0.52) HMGCRPLAUVDRCYP24A1AKR1C3
SCHEMBL6156460 0.89 HMGCR (0.51) HMGCRPLAUVDRCYP24A1AKR1C3
SCHEMBL6156462 0.89 HMGCR (0.51) HMGCRPLAUVDRCYP24A1AKR1C3
SCHEMBL6155533 0.88 HMGCR (0.41) HMGCRVDRCYP24A1AKR1C3AKR1C2
SCHEMBL6155531 0.88 HMGCR (0.41) HMGCRVDRCYP24A1AKR1C3AKR1C2
SCHEMBL2107463 0.87 HMGCR (0.40) HMGCRVDRCYP24A1AKR1C3AKR1C2

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 6 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 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 claimed
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