SCHEMBL5518239

SCHEMBL5518239

COc1ccc(O)c(C(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
BLM P54132 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP2 O95551 1/20 0.50
POLB P06746 1/20 0.50
ADRA2A P08913 2/20 0.49
ADRA1A P35348 2/20 0.49
ERN1 O75460 1/20 0.48
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL14570523 0.86 GAA (0.50) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1494382 0.83 THRB (0.52) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL28143758 0.83 TYR (0.53) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL51662 0.83 GAA (0.52) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3719984 0.82 GAA (0.50) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL16504443 0.81 ADRA2A (0.51) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL7149085 0.81 ADRA1A (0.70) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL11645131 0.80 GAA (0.48) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL9207541 0.80 ADRA2A (0.57) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL9988677 0.80 TSHR (0.53) GAAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099130-A1 Developer for recording materials CHEMIPRO KASEI KAISHA, LTD. (JP) 2007-05-03 US disclosed
EP-1637337-A1 DEVELOPER FOR RECORDING MATERIALS Asahi Kasei Chemicals Corporation (JP) 2006-03-22 EP disclosed