SCHEMBL20581998

SCHEMBL20581998

CC(C)(CCC(=O)O)O[SiH3]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL27811081 0.80 NAALAD2 (0.45) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL28184813 0.79 ALDH1A1 (0.42) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL12410508 0.78 NAALAD2 (0.43) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL21989009 0.77 ALDH1A1 (0.41) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL8061584 0.76 NAALAD2 (0.42) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL20374757 0.76 NAALAD2 (0.38) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL11403557 0.74 NAALAD2 (0.41) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL24168564 0.74 ALDH1A1 (0.42) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL12945252 0.74 NAALAD2 (0.37) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL12944268 0.74 NAALAD2 (0.37) NAALAD2ALDH1A1MEN1CYP1A2THRB

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
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 WO disclosed