SCHEMBL8724400

SCHEMBL8724400

O=C(O)C(=CO)c1ccccc1COc1cccc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.38
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
FOLH1 Q04609 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CLCN2 P51788 1/20 0.34
NR4A2 P43354 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL7778221 0.87 HIF1A (0.39) TP53HTTGAAKMT2AKDM4E
SCHEMBL7778217 0.87 HIF1A (0.39) TP53HTTGAAKMT2AKDM4E
SCHEMBL31287388 0.82 TAS2R14 (0.39) TP53HTTMRGPRX4FOLH1
SCHEMBL8726616 0.82 TAS2R14 (0.39) TP53HTTMRGPRX4FOLH1
SCHEMBL7786328 0.81 HIF1A (0.40) TP53HTTGAAKMT2AKDM4E
SCHEMBL7786334 0.79 HIF1A (0.39) TP53HTTGAAKMT2AKDM4E
SCHEMBL7786324 0.79 HIF1A (0.39) TP53HTTGAAKMT2AKDM4E
SCHEMBL20636585 0.73 HTR7 (0.38) TP53HTTKMT2AFOLH1MEN1
SCHEMBL4648199 0.73 TAS2R14 (0.39) TP53HTTMRGPRX4FOLH1
SCHEMBL7784791 0.73 HIF1A (0.39) KMT2AALDH1A1PDCD1CD274

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-0840726-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1998-05-13 EP disclosed
WO-1997001538-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1997-01-16 WO disclosed