SCHEMBL9723368

SCHEMBL9723368

CC(O)C(C)O.CCC(C)c1nccnc1OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.34
HRH1 P35367 4/20 0.34
KCNH2 Q12809 4/20 0.34
CHRM1 P11229 1/20 0.34
HRH2 P25021 1/20 0.32
ACHE P22303 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
SCHEMBL30520555 0.93 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL424900 0.93 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL23251410 0.78 HPGD (0.39)
SCHEMBL16432061 0.74 CYP2D6 (0.37) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL111252 0.73 CYP2D6 (0.38) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL29483319 0.73 CYP2D6 (0.38) CYP2D6HRH1KCNH2CHRM1HRH2
SCHEMBL31287396 0.71 TOP1 (0.36) CHRM1
SCHEMBL20154935 0.69 TSHR (0.31)
SCHEMBL19386544 0.67 TSHR (0.30)
SCHEMBL21283402 0.67 TSHR (0.30)

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-5137744-A Heating, heat treating and washing vegetable fiber AMERICAN CRYSTAL SUGAR COMPANY (US) 1992-08-11 US disclosed