SCHEMBL6156340

SCHEMBL6156340

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PREP P48147 2/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIF11 P52732 1/20 0.32
CETP P11597 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL6155239 0.85 CNR1 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL8705771 0.80 KIF11 (0.46) CA1CA9CNR1CNR2LMNA
SCHEMBL7706827 0.79 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL559965 0.78 KDR (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL29851528 0.78 KDR (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6155570 0.77 CYP4F2 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL4004898 0.76 CYP3A4 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL5292779 0.76 ACHE (0.45) CA12CA1CA9CYP3A4
SCHEMBL15045357 0.75 CNR1 (0.47) CNR1CNR2LMNACYP3A4CYP2C19
SCHEMBL6155576 0.75 CA12 (0.42) 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