SCHEMBL9720188

SCHEMBL9720188

CC(C)(C)c1cc(CCC(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(N)=O)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
BLM P54132 2/20 0.45
ATM Q13315 2/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 3/20 0.45
GMNN O75496 1/20 0.44
GABBR2 O75899 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL29752025 0.84 HMGCR (0.48) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL29752030 0.83 HMGCR (0.47) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL6906861 0.83 HMGCR (0.47) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL29905848 0.82 GAA (0.51) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL10695266 0.82 GAA (0.49) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL1558273 0.81 HMGCR (0.46) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL11614848 0.81 GAA (0.52) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL11580271 0.80 GAA (0.53) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL1503662 0.79 GAA (0.47) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7032605 0.78 GAA (0.60) GAAKMT2AMEN1ALDH1A1TSHR

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-1992016495-A1 AMIDE ANTIOXIDANTS ETHYL CORPORATION (US) 1992-10-01 WO disclosed