SCHEMBL2945327

SCHEMBL2945327

CCCCN(C(=O)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 15/20 0.75
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2944434 0.86 MLYCD (0.69) MLYCDNR1H2NR1H3
SCHEMBL6846355 0.84 MLYCD (0.67) MLYCDNR1H2NR1H3
SCHEMBL2942014 0.84 MLYCD (0.70) MLYCDNR1H2NR1H3
SCHEMBL4883103 0.84 MLYCD (0.63) MLYCDNR1H2NR1H3
SCHEMBL6844036 0.83 MLYCD (0.87) MLYCDNR1H2NR1H3
SCHEMBL6843869 0.83 MLYCD (1.00) MLYCD
SCHEMBL2943141 0.82 MLYCD (0.61) MLYCDNR1H2NR1H3
SCHEMBL2941948 0.79 MLYCD (0.57) MLYCDNR1H2NR1H3
SCHEMBL2945331 0.79 MLYCD (0.78) MLYCDNR1H2NR1H3
SCHEMBL2938718 0.79 MLYCD (0.81) MLYCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4503232-B2 2010-07-14 JP claimed
JP-2004521113-A 2004-07-15 JP claimed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP claimed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 WO claimed