SCHEMBL8553319

SCHEMBL8553319

CCOC(=O)Oc1[nH]c2cc(OC3CCCC3)c(OC)cc2c1-c1ccc(OC)cc1OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
PDE4D Q08499 7/20 0.40
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ELANE P08246 1/20 0.37
PTPN1 P18031 2/20 0.37
USP2 O75604 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL8591475 0.92 PTPN1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8553299 0.86 PTPN1 (0.38) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8550982 0.85 CTSV (0.44) ALDH1A1MAPTHPGDELANEPTPN1
SCHEMBL8553723 0.78 FFAR1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8552296 0.77 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8549574 0.75 EDNRB (0.43) PDE4BPDE4DPDE4APDE4CPTGDR2
SCHEMBL8550648 0.74 EDNRB (0.42) PDE4BPDE4DPDE4APDE4CPTGDR2
SCHEMBL8551010 0.73 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8697275 0.73 PTPN1 (0.42) PTGDR2ALDH1A1MAPTPTPN1
SCHEMBL8552291 0.73 CLK1 (0.40) PDE4BPDE4DPDE4APDE4CKMT2A

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
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed