SCHEMBL9025823

SCHEMBL9025823

CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.80
CAPN1 P07384 1/20 0.44
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
OPRL1 P41146 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR4A2 P43354 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6571845 1.00 HIF1A (0.80) HIF1ACAPN1TSHRHSD17B10ALDH1A1
SCHEMBL4564428 0.91 HIF1A (0.71) HIF1AALDH1A1OPRL1HPGDHTT
SCHEMBL8623305 0.89 HIF1A (0.65) HIF1ACAPN1TSHRHSD17B10ALDH1A1
SCHEMBL8623308 0.89 HIF1A (0.65) HIF1ACAPN1TSHRHSD17B10ALDH1A1
SCHEMBL9450116 0.89 HIF1A (0.69) HIF1AALDH1A1SMN1; SMN2PTPRCPTPN1
SCHEMBL22414343 0.89 HIF1A (1.00) HIF1AMAPK10KDM4ESMN1; SMN2NR4A2
SCHEMBL30746040 0.89 HIF1A (0.69) HIF1AALDH1A1SMN1; SMN2PTPRCPTPN1
SCHEMBL13772688 0.88 HIF1A (0.63) HIF1ACAPN1TSHRHSD17B10ALDH1A1
SCHEMBL8369852 0.87 HIF1A (0.63) HIF1ACAPN1TSHRHSD17B10ALDH1A1
SCHEMBL8369854 0.87 HIF1A (0.63) HIF1ACAPN1TSHRHSD17B10ALDH1A1

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 3 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
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