SCHEMBL7593971

SCHEMBL7593971

O=C(OCc1ccccc1)Oc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NR4A2 P43354 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 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
SCHEMBL697595 0.86 KMT2A (0.60) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL21980920 0.85 KMT2A (0.54) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL1927968 0.81 LMNA (0.59) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL801890 0.80 CYP3A4 (0.70) KMT2AMEN1HSD17B10CYP3A4ALDH1A1
SCHEMBL9410965 0.80 CYP3A4 (0.61) KMT2AMEN1CYP3A4LMNAL3MBTL1
SCHEMBL28634007 0.79 KMT2A (0.59) KMT2ACYP3A4ALDH1A1MAPK1L3MBTL1
SCHEMBL9663664 0.78 NPC1 (0.55) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9662869 0.78 HCAR2 (0.57) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL23008631 0.78 MEN1 (0.47) KMT2AMEN1HTTGFERHSD17B10
Resorcinol SCHEMBL5710714 0.77 CYP3A4 (0.55) KMT2AMEN1HSD17B10CYP3A4ALDH1A1

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-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 EP disclosed