SCHEMBL5230445

SCHEMBL5230445

O=C(O)CCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.96

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 19/20 0.96
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52

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
SCHEMBL2938147 0.98 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL2944603 0.97 MLYCD (0.98) MLYCDNR1H2NR1H3
SCHEMBL2941941 0.97 MLYCD (0.98) MLYCDNR1H2NR1H3
SCHEMBL5231034 0.94 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL2940868 0.90 MLYCD (0.82) MLYCDNR1H2NR1H3
SCHEMBL2940144 0.89 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL2941243 0.89 MLYCD (0.85) MLYCD
SCHEMBL2940760 0.88 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL2938612 0.88 MLYCD (0.82) MLYCD
SCHEMBL4881927 0.87 MLYCD (0.81) MLYCDNR1H2NR1H3

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-1353662-B1 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-04-18 EP claimed