SCHEMBL6155576

SCHEMBL6155576

CC(C)(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PREP P48147 3/20 0.35
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOD1 P00441 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6155175 0.80 HSP90AA1 (0.43) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6155168 0.80 HSP90AA1 (0.43) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL7706827 0.79 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL3532850 0.78 NPC1 (0.44) CA1CA9ALDH1A1CYP3A4LMNA
SCHEMBL1010834 0.78 HSP90AA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6155230 0.77 HSP90AA1 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6155225 0.77 HSP90AA1 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6155570 0.77 CYP4F2 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL14594552 0.75 ESR1 (0.45) L3MBTL1ALDH1A1CYP3A4LMNAHTT
SCHEMBL6156340 0.75 CA12 (0.39) CA12CA1CA9HSP90AA1HSP90AB1

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