SCHEMBL3280170

SCHEMBL3280170

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
VDR P11473 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.30
ESR1 P03372 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
SCHEMBL3280182 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3280180 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL6753237 0.85 HSP90AA1 (0.38) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3280446 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3280453 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3280458 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3279581 0.82 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL3283538 0.81 HSP90AA1 (0.38) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3279193 0.81 VDR (0.38) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL3279186 0.81 VDR (0.38) 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 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