SCHEMBL8020608

SCHEMBL8020608

CN(C(=O)COc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MITF O75030 3/20 0.41
PAX8 Q06710 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLF5 Q13887 1/20 0.41
BDKRB2 P30411 3/20 0.41
DAPK1 P53355 1/20 0.39
PIM3 Q86V86 1/20 0.39
CASR P41180 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8030394 0.94 CASR (0.46) RAB9ASMN1; SMN2BDKRB2CASRKMT2A
SCHEMBL8030189 0.93 BDKRB2 (0.39) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8029986 0.89 KMT2A (0.40) SMN1; SMN2CASRKMT2AMEN1GAA
SCHEMBL8036249 0.88 NR1H4 (0.41) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8030209 0.88 CASR (0.36) SMN1; SMN2CASRKMT2AMEN1GAA
SCHEMBL8031801 0.87 CASR (0.42) NPC1RAB9ASMN1; SMN2BDKRB2CASR
SCHEMBL8030284 0.86 MAPT (0.46) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8036739 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8030202 0.84 BDKRB2 (0.42) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8030205 0.83 CASR (0.42) NPC1RAB9ASMN1; SMN2MITFPAX8

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed