SCHEMBL10458397

SCHEMBL10458397

CC(CC(O)c1ccc(F)cc1)CC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
KDM4E B2RXH2 2/20 0.37
RIPK1 Q13546 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
IGF1R P08069 2/20 0.33
CTSL P07711 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL21363635 0.79 AOC3 (0.47) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL16673700 0.77 AOC3 (0.53) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL22473432 0.77 TRPA1 (0.47) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL24303096 0.75 SLC6A3 (0.49) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL23493182 0.75 AOC3 (0.44) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL8458117 0.74 AOC3 (0.50) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL22623869 0.73 RIPK1 (0.67) AOC3KDM4ERIPK1MEN1KMT2A
SCHEMBL6829522 0.73 AOC3 (0.53) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL24303410 0.71 AOC3 (0.47) AOC3KDM4EMEN1KMT2AHTT
SCHEMBL31489566 0.71 AOC3 (0.50) AOC3KDM4EMEN1KMT2AHTT

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-4929786-A DEHYDRATION, ARYLPHOSPHITE CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed