SCHEMBL8940399

SCHEMBL8940399

CCSCCOCCOCCO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL8940365 0.98
SCHEMBL11525095 0.87 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1TDP1
Di(Hydroxyethyl)Ether SCHEMBL28264817 0.85 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4597235 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4596956 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7207955 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4595342 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5445934 0.84 MEN1 (0.46) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL5940404 0.82 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6800013 0.82 TSHR (0.62) MEN1KMT2ATSHRMAPK1THRB

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-5504240-A HYDROBORATION AND REDUCING AGENTS ALDRICH CHEMICAL COMPANY, INC. (US) 1996-04-02 US disclosed