SCHEMBL9025918

SCHEMBL9025918

Cc1ccccc1OCc1ccccc1C(=O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PARP1 P09874 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ANXA2 P07355 1/20 0.43
S100A10 P60903 1/20 0.43
SLC1A5 Q15758 1/20 0.43
CDK4 P11802 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
SCHEMBL5713109 0.85 PLA2G2A (0.48) MEN1KMT2ARXRARXRBRXRG
SCHEMBL15286842 0.85 RXRA (0.51) RXRARXRBRXRGTP53HTT
SCHEMBL29787364 0.84 RXRA (0.47) RXRARXRBRXRGTP53HTT
SCHEMBL8848536 0.84 RXRA (0.47) RXRARXRBRXRGTP53HTT
SCHEMBL5291219 0.83 HTT (0.68) RXRARXRBRXRGTP53HTT
SCHEMBL8948906 0.83 RXRA (0.51) RXRARXRBRXRGTP53HTT
SCHEMBL7965281 0.82 TP53 (0.54) MEN1KMT2ARXRARXRBRXRG
SCHEMBL8205297 0.81 HIF1A (0.50) MEN1KMT2ARXRARXRBRXRG
SCHEMBL7779845 0.81 HIF1A (0.50) MEN1KMT2ARXRARXRBRXRG
SCHEMBL9442052 0.81 L3MBTL1 (0.52) KMT2ARXRARXRBRXRGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493711-B1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF AG (DE) 1996-09-25 EP disclosed
EP-0554767-B1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF AG (DE) 1996-06-19 EP disclosed
US-5354883-A Forming stereospecific in a acid catalysts, salt formation with a base, methylating in an organic diluent BASF AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0554767-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed