SCHEMBL8529872

SCHEMBL8529872

CCCCOCCOC(=O)OOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CES2 O00748 2/20 0.33
RARB P10826 1/20 0.33
DGKA P23743 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ELANE P08246 1/20 0.31
CES1 P23141 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
SCHEMBL6930648 0.92 TSHR (0.36) TSHRALDH1A1CYP4F2CYP4A11THRB
SCHEMBL5076033 0.90 ATM (0.47) ATMTSHRALDH1A1MAPTHCAR2
SCHEMBL11516812 0.88 MAPT (0.36) ATMTSHRCYP3A4ALDH1A1CYP4F2
SCHEMBL8504051 0.87 ATM (0.40) ATMTSHRCYP3A4ALDH1A1CYP4F2
SCHEMBL5545986 0.85 ALDH1A1 (0.32) TSHRALDH1A1CYP4F2CYP4A11THRB
SCHEMBL8504674 0.85 NAAA (0.44) ATMTSHRCYP3A4ALDH1A1HCAR2
SCHEMBL6923591 0.84 DGKA (0.37) ATMALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL11515685 0.83 MEN1 (0.42) ATMTSHRCYP4F2CYP4A11MAPT
SCHEMBL8505385 0.83 HCAR2 (0.38) ATMTSHRALDH1A1HCAR2
SCHEMBL8679165 0.82 TSHR (0.48) ATMTSHRCYP3A4ALDH1A1MAPT

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
US-5760149-A POLYMERIZATION INITIATORS, CURING AGENTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-06-02 US disclosed