SCHEMBL8957665

SCHEMBL8957665

C=C(C)C(=O)OC(COc1ccc(C(C)(C)c2ccc(OC(OC(=O)C(=C)C)C(OCC)(OCC)OCC)cc2)cc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
HTT P42858 3/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 6/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL1468098 0.89 AR (0.46) ARHTTHIF1AKMT2AKDM4E
SCHEMBL8957651 0.88 AR (0.37) ARHTTHIF1AKMT2AKDM4E
SCHEMBL5223398 0.85 AR (0.43) ARHTTHIF1AKMT2AKDM4E
SCHEMBL7625145 0.85 AR (0.39) ARHTTHIF1AKMT2AKDM4E
SCHEMBL7621670 0.83 KDM4E (0.35) ARHTTHIF1AKMT2AKDM4E
SCHEMBL8957781 0.82 AR (0.43) ARHTTHIF1AKMT2AKDM4E
SCHEMBL7630191 0.80 AR (0.45) ARHTTHIF1AKMT2AKDM4E
SCHEMBL8957746 0.78 AR (0.31) AR
SCHEMBL7189264 0.78 MEN1 (0.42) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL1803446 0.77 MAPT (0.40) HTTKMT2AKDM4EMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed