SCHEMBL8940437

SCHEMBL8940437

CCOB(OCC)OCCSCC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8940416 0.84 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL8940299 0.82 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL8940509 0.77 ROCK2 (0.31)
SCHEMBL8940433 0.77 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL11313394 0.74
SCHEMBL5445934 0.73 MEN1 (0.46) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL8940258 0.73 HTR1A (0.33) ALDH1A1HSD17B10
SCHEMBL27913833 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL50777 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10571042 0.71 HSD17B10 (0.31) ALDH1A1HSD17B10

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