SCHEMBL6154762

SCHEMBL6154762

CC(C)(CCCCc1cccc(C=Cc2ccc(CO)c(CO)c2)c1)OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
DHFR P00374 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
TGFBR1 P36897 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL6884487 0.85 HMGCR (0.35) HMGCRDHFR
SCHEMBL6879551 0.81 HMGCR (0.36) HMGCRDHFRKDM4C
SCHEMBL6155756 0.81 HMGCR (0.36) HMGCRDHFRKDM4CNR1H4
SCHEMBL6155888 0.80 HSP90AA1 (0.38) HMGCRDHFRKDM4C
SCHEMBL6881436 0.80 HMGCR (0.37) HMGCRDHFRKDM4C
SCHEMBL6156858 0.79 HMGCR (0.39) HMGCR
SCHEMBL6884494 0.78 HMGCR (0.35) HMGCR
SCHEMBL6154316 0.78 HMGCR (0.38) HMGCR
SCHEMBL6878864 0.78 HMGCR (0.35) HMGCRDHFR
SCHEMBL6881439 0.77 HMGCR (0.35) HMGCR

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