SCHEMBL3840599

SCHEMBL3840599

CCCc1cc(C(=O)O)ccc1C(=O)O.[PoH2]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.51
MYC P01106 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
PLEC Q15149 1/20 0.44
ACE2 Q9BYF1 2/20 0.42
PTPN11 Q06124 2/20 0.42
RARB P10826 1/20 0.42
TSHR P16473 1/20 0.42
PTPN1 P18031 1/20 0.42
MCL1 Q07820 1/20 0.41
PPARA Q07869 1/20 0.41
PPARG P37231 1/20 0.41
PSMD14 O00487 1/20 0.41

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
SCHEMBL80902 0.98 RXRA (0.52) RXRAMYCKDM4EALDH1A1GAA
SCHEMBL459872 0.87 GABRP (0.54) RXRAALDH1A1MAPTPTPN11RARB
SCHEMBL28422098 0.86 KDM4E (0.52) MYCKDM4EALDH1A1GAAMAPT
SCHEMBL7934928 0.86 RARB (0.54) ALDH1A1MAPTPTPN11RARBTSHR
SCHEMBL1355580 0.85 RXRA (0.48) RXRAKDM4EALDH1A1GAAMAPT
SCHEMBL11356019 0.85 KDM4E (0.54) RXRAKDM4EALDH1A1HPGDPPARA
SCHEMBL28881046 0.85 KDM4E (0.48) RXRAKDM4EALDH1A1GAAMAPT
SCHEMBL566628 0.85 RXRA (0.47) RXRAKDM4EALDH1A1GAAMAPT
SCHEMBL3459040 0.84 PPARA (0.56) ALDH1A1MAPTPTPN11RARBTSHR
SCHEMBL7271225 0.84 PPARA (0.56) ALDH1A1MAPTPTPN11RARBTSHR

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-2116576-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-11-11 EP disclosed