SCHEMBL21572912

SCHEMBL21572912

C=C(C)CC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
RECQL P46063 1/20 0.33
CYBB P04839 2/20 0.33
NOX5 Q96PH1 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
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
SCHEMBL18027950 0.78 GAA (0.40) GAARECQLTSHRPOLBMEN1
SCHEMBL208074 0.76 GAA (0.36) GAARECQLTSHRPOLBMEN1
SCHEMBL3022031 0.76 GAA (0.41) GAARECQLTSHRPOLBKMT2A
SCHEMBL15641898 0.75 GAA (0.38) GAARECQLTSHRPOLBKMT2A
SCHEMBL23892923 0.75 GAA (0.31) GAA
SCHEMBL4016063 0.74 CYP1A2 (0.42) GAATSHRPOLBKMT2A
SCHEMBL22916588 0.73 APLNR (0.48)
SCHEMBL2092261 0.72 GAA (0.39) GAARECQLTSHRPOLBMEN1
SCHEMBL24319154 0.72
SCHEMBL17945925 0.72 GAA (0.42) GAARECQLTSHRPOLBKMT2A

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
EP-3378898-B1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF KANEKA CORP (JP) 2019-11-20 EP disclosed