SCHEMBL8030189

SCHEMBL8030189

CN(C(=O)COc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MITF O75030 3/20 0.39
PAX8 Q06710 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KLF5 Q13887 1/20 0.39
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
CASR P41180 2/20 0.36
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PPIA P62937 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARA Q07869 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
SCHEMBL8031801 0.94 CASR (0.42) BDKRB2NPC1RAB9ASMN1; SMN2CASR
SCHEMBL8020608 0.93 NPC1 (0.41) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8031970 0.89 CASR (0.34) CASRCXCR1CXCR2
SCHEMBL8020622 0.88 NR1H4 (0.38) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8030394 0.87 CASR (0.46) BDKRB2RAB9ASMN1; SMN2CASRHIF1A
SCHEMBL8034072 0.85 BDKRB2 (0.40) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8029973 0.85 BDKRB2 (0.40) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8030420 0.84 BDKRB2 (0.39) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8030402 0.84 BDKRB2 (0.40) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8021117 0.83 BDKRB2 (0.39) BDKRB2NPC1RAB9AMITFPAX8

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