SCHEMBL6156462

SCHEMBL6156462

CC(C)(O)CCCCCc1cccc(C=Cc2ccc(O)c(CO)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.51
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
NFKB1 P19838 1/20 0.40
VDR P11473 6/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 1/20 0.38
APP P05067 1/20 0.37
ALOX5 P09917 1/20 0.37
KLF10 Q13118 1/20 0.37
CYP24A1 Q07973 2/20 0.37
MMP13 P45452 1/20 0.36
IAPP P10997 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C3 P42330 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
SCHEMBL6156460 1.00 HMGCR (0.51) HMGCRMMP2MMP9MMP8NFKB1
SCHEMBL6155530 0.99 HMGCR (0.52) HMGCRMMP2MMP9MMP8NFKB1
SCHEMBL6155538 0.99 HMGCR (0.52) HMGCRMMP2MMP9MMP8NFKB1
SCHEMBL2108294 0.91 HMGCR (0.53) HMGCRVDRCYP24A1AKR1C3PLAU
SCHEMBL2108296 0.91 HMGCR (0.53) HMGCRVDRCYP24A1AKR1C3PLAU
SCHEMBL6155332 0.89 HMGCR (0.54) HMGCRVDRALOX5CYP24A1AKR1B10
SCHEMBL6155327 0.89 HMGCR (0.54) HMGCRVDRALOX5CYP24A1AKR1B10
SCHEMBL6155863 0.89 MMP2 (0.42) HMGCRMMP2MMP9MMP8NFKB1
SCHEMBL6155861 0.89 MMP2 (0.42) HMGCRMMP2MMP9MMP8NFKB1
SCHEMBL2107473 0.88 HMGCR (0.55) HMGCRMMP2MMP9NFKB1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN claimed
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
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN claimed
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN disclosed
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
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN 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