SCHEMBL4751569

SCHEMBL4751569

COC(=O)CC1=CCOO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 4/20 0.33
GAA P10253 4/20 0.33
GFER P55789 1/20 0.33
EGFR P00533 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
LIPE Q05469 1/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL28475451 0.75
SCHEMBL29035804 0.71 KMT2A (0.36) HSP90AB1TSHRHSD17B10KMT2AMEN1
SCHEMBL29790931 0.68 HSP90AB1 (0.37) HSP90AB1CYP4F2CYP4A11TSHRHSD17B10
SCHEMBL29288243 0.67
SCHEMBL4751568 0.67 HSP90AB1 (0.39) HSP90AB1CYP4F2CYP4A11TSHRHSD17B10
SCHEMBL27668360 0.66
SCHEMBL2237455 0.64
SCHEMBL21891794 0.62 HSP90AB1 (0.75) HSP90AB1CYP4F2CYP4A11TSHRHSD17B10
SCHEMBL14354674 0.62 HSP90AB1 (0.56) HSP90AB1CYP4F2CYP4A11TSHRHSD17B10
SCHEMBL4113212 0.62 CYP4F2 (0.76) HSP90AB1CYP4F2CYP4A11KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144602-A1 DEUTERATED ZAMIFENACIN DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed