SCHEMBL6155792

SCHEMBL6155792

CC(C)(O)CCCCCCc1cccc(/C=C/c2cccc(O[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.49
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PPARA Q07869 7/20 0.37
PPARG P37231 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
VDR P11473 7/20 0.36
CYP24A1 Q07973 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL6155797 1.00 HMGCR (0.49) HMGCRHSP90AA1HSP90AB1PPARAPPARG
SCHEMBL6156155 0.82 HMGCR (0.49) HMGCRHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL6155243 0.82 HMGCR (0.41) HMGCRHSP90AA1HSP90AB1PPARAPPARG
SCHEMBL6155238 0.82 HMGCR (0.41) HMGCRHSP90AA1HSP90AB1PPARAPPARG
SCHEMBL2108149 0.81 HMGCR (0.57) HMGCRLCK
SCHEMBL2106285 0.81 HMGCR (0.57) HMGCRLCK
SCHEMBL2106283 0.81 HMGCR (0.57) HMGCRLCK
SCHEMBL2108148 0.81 HMGCR (0.57) HMGCRLCK
SCHEMBL2106841 0.80 HMGCR (0.56) HMGCRKDM4EALDH1A1VDRCYP24A1
SCHEMBL2106842 0.80 HMGCR (0.56) HMGCRKDM4EALDH1A1VDRCYP24A1

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