SCHEMBL27339626

SCHEMBL27339626

CCC(=O)OC(O)c1c(CO)cnc(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 2/20 0.48
▸ KDM4E B2RXH2 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ AOX1 Q06278 1/20 0.44
▸ TRIM24 O15164 1/20 0.43
▸ TRIM33 Q9UPN9 1/20 0.43
▸ HTT P42858 5/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MPI P34949 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
SCHEMBL28806636 0.88 KDM4E (0.44) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27437788 0.86 KDM4E (0.47) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27588200 0.85 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27606029 0.85 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27539162 0.85 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28031310 0.84 KDM4E (0.40) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27954224 0.81 LMNA (0.43) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1545975 0.80 PDXK (0.53) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28517132 0.80 KDM4E (0.53) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8904107 0.79 PDXK (0.51) PDXKKDM4EALDH1A1HPGDHSD17B10

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
CN-1061408-A Saturated hydroxyalkyl quinolinic acids as leukotriene antagonists MERCK FROSST CANADA INC (US) 1992-05-27 — — CN disclosed
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