SCHEMBL3279581

SCHEMBL3279581

C#C/C=C(\CC)c1cccc(OC(C)c2ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL3280180 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL3280182 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL3280170 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL6753237 0.69 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL3280271 0.67 VDR (0.48)
SCHEMBL3280525 0.67 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3280516 0.67 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3280523 0.67 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3280458 0.66 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3280446 0.66 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed