SCHEMBL5823889

SCHEMBL5823889

CC(C)(O)CCCCc1cccc(/C=C/c2cc(O)cc(CO)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.53
LCK P06239 1/20 0.41
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
VDR P11473 3/20 0.38
CYP24A1 Q07973 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5823891 1.00 HMGCR (0.53) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL6154968 0.99 HMGCR (0.52) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL6154965 0.99 HMGCR (0.52) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL2107876 0.92 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL2107875 0.92 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL2106863 0.92 HMGCR (0.57) HMGCRAKR1B10AKR1B1VDRCYP24A1
SCHEMBL2106865 0.92 HMGCR (0.57) HMGCRAKR1B10AKR1B1VDRCYP24A1
SCHEMBL6154934 0.91 HMGCR (0.56) HMGCRAKR1B10AKR1B1VDRCYP24A1
SCHEMBL6155055 0.91 HMGCR (0.56) HMGCRLCKAKR1B10AKR1B1VDR
SCHEMBL2106842 0.91 HMGCR (0.56) HMGCRLCKAKR1B10AKR1B1VDR

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 9 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-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
JP-2006028185-A VITAMIN D ANALOG GALDERMA RES & DEV SNC 2006-02-02 JP 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
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