SCHEMBL8656391

SCHEMBL8656391

CC(C)COCC(C)(C)CO

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL15856890 0.86 MAPK1 (0.31) MAPK1
SCHEMBL16097171 0.84 MAPK1 (0.44) MAPK1
SCHEMBL15704165 0.82 TSHR (0.31) TSHR
SCHEMBL284757 0.79 NUDT1 (0.34) MAPK1TSHR
SCHEMBL15856892 0.79
SCHEMBL20717733 0.78 ALDH1A1 (0.33) TSHR
SCHEMBL18893184 0.78
SCHEMBL2869714 0.77 USP2 (0.42) MAPK1TSHR
SCHEMBL22746598 0.77 MAPK1 (0.43) MAPK1
SCHEMBL284223 0.76 TSHR (0.37) MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10195010-A None JP disclosed
JP-H10195010-A 2,2-DIMENTHYL-5-ALKOXYPROPANOL AND PERFUME COMPOSITION CONTAINING THE SAME KAO CORP 1998-07-28 JP disclosed