SCHEMBL5229289

SCHEMBL5229289

O=C(O)CC(=O)CCC=CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
OXER1 Q8TDS5 1/20 0.34
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL3966178 0.87 PPARG (0.43) MMP12LDHASRREGLN1KDM4E
SCHEMBL3966182 0.87 PPARG (0.43) MMP12LDHASRREGLN1KDM4E
SCHEMBL9067970 0.81 KDM4E (0.39) MMP12LDHASRREGLN1KDM4E
SCHEMBL9067968 0.81 KDM4E (0.39) MMP12LDHASRREGLN1KDM4E
SCHEMBL3182295 0.79
SCHEMBL17397489 0.79
SCHEMBL16681683 0.79 LDHA (0.35) MMP12LDHASRREGLN1KDM4E
SCHEMBL9638651 0.79 FNTA (0.35) MMP12LDHASRREGLN1KDM4E
SCHEMBL10437539 0.76 MAPT (0.33) MMP12LDHASRREGLN1KDM4E
SCHEMBL10437538 0.76 MAPT (0.33) MMP12LDHASRREGLN1KDM4E

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-1818336-A1 2,2-bis-(4-hydroxyphenyl)-alkyl onium salt and a process for the preparation thereof Council of Scientific and Industrial Research (IN) 2007-08-15 EP disclosed