SCHEMBL6155756

SCHEMBL6155756

CC(C)(CCCCCc1cccc(C=Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1)OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
DHFR P00374 1/20 0.30
BACE1 P56817 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6881436 0.94 HMGCR (0.37) HMGCRDHFRKDM4CNPC1RAB9A
SCHEMBL6884487 0.92 HMGCR (0.35) HMGCRDHFRBACE1
SCHEMBL6886674 0.87 BACE1 (0.33) BACE1
SCHEMBL6879551 0.86 HMGCR (0.36) HMGCRDHFRKDM4CNPC1RAB9A
SCHEMBL6155888 0.86 HSP90AA1 (0.38) HMGCRDHFRKDM4CNPC1RAB9A
SCHEMBL6886189 0.86 BACE1 (0.33) BACE1
SCHEMBL6154762 0.81 HMGCR (0.40) HMGCRDHFRKDM4CNR1H4
SCHEMBL6157458 0.80 HMGCR (0.34) HMGCR
SCHEMBL6157185 0.78 HMGCR (0.33) HMGCRBACE1
SCHEMBL6879672 0.77 HMGCR (0.33) HMGCRDHFRKDM4C

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