SCHEMBL9727346

SCHEMBL9727346

O=C(O)c1cc(C(=O)OCC2CCCO2)c(C(=O)OCC2CCCO2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MGLL Q99685 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11649952 0.86 MGLL (0.50) ALDH1A1LMNAPOLBHTTMGLL
SCHEMBL28332745 0.83 DHFR (0.44) ALDH1A1MAPK1MGLL
SCHEMBL27139529 0.83 DHFR (0.44) ALDH1A1MAPK1MGLL
SCHEMBL31651033 0.83 DHFR (0.44) ALDH1A1MAPK1MGLL
SCHEMBL7179948 0.83 DHFR (0.44) ALDH1A1MAPK1MGLL
SCHEMBL1063571 0.82 LMNA (0.54) ALDH1A1LMNAPOLBHTTMGLL
SCHEMBL23394177 0.78 HPGD (0.57) ALDH1A1LMNAPOLBHTTMGLL
SCHEMBL3598235 0.78 HPGD (0.57) ALDH1A1LMNAPOLBHTTMGLL
SCHEMBL26025586 0.78 HPGD (0.57) ALDH1A1LMNAPOLBHTTMGLL
SCHEMBL1605649 0.77 MAPT (0.49) ALDH1A1LMNAPOLBKMT2AMEN1

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
US-5087550-A Polymer procursor and aryl-containing carbonyl compounds BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed