SCHEMBL3279192

SCHEMBL3279192

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL3279186 1.00 VDR (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3279193 1.00 VDR (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3283533 0.87 HSP90AA1 (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3283542 0.87 HSP90AA1 (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3283538 0.87 HSP90AA1 (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL6753237 0.87 HSP90AA1 (0.38) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3280446 0.83 HSP90AA1 (0.36) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3280453 0.83 HSP90AA1 (0.36) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3280458 0.83 HSP90AA1 (0.36) VDRHSP90AA1HSP90AB1CA12CA1
SCHEMBL3280182 0.81 HSP90AA1 (0.40) VDRHSP90AA1HSP90AB1CA12CA1

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