SCHEMBL10870577

SCHEMBL10870577

C/C=C/CC(C(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.47
GRIK2 Q13002 4/20 0.47
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CTSK P43235 2/20 0.33
CYP1A2 P05177 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
SCHEMBL10871217 1.00 GRIK1 (0.47) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL11861273 0.90 GRIK1 (0.45) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL11861283 0.90 GRIK1 (0.45) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL11857180 0.90 GRIK1 (0.54) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL2917234 0.90 GRIK1 (0.54) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL8675865 0.79 CTSK (0.37) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL8675866 0.79 CTSK (0.37) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL10870370 0.77 ALDH1A1 (0.38) GRIK1GRIK2CTSK
SCHEMBL10870498 0.77 ALDH1A1 (0.38) GRIK1GRIK2CTSK
SCHEMBL10870379 0.77 ALDH1A1 (0.38) GRIK1GRIK2CTSK

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
EP-0186275-A2 2-Substituted amino-4(1H)-pyrimidone derivatives, their production, and medical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP disclosed