SCHEMBL6155732

SCHEMBL6155732

C/C(=C/C#N)c1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRB2 P47870 2/20 0.33
GABRB1 P18505 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6155736 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHSP90AA1
SCHEMBL6158596 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6158602 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL16554270 0.78 CA12 (0.40) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL341880 0.78 KMT2A (0.53) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6156551 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6156557 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6156525 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6156527 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL2989104 0.75 AKR1C3 (0.53) HSP90AA1HSP90AB1CA12CA1CA9

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