SCHEMBL8033869

SCHEMBL8033869

CN(C(=O)COc1ccccc1N(CCC1CCCC1)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.42
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CASR P41180 1/20 0.38
MITF O75030 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
DAPK1 P53355 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL8020624 0.99 BDKRB2 (0.42) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8030202 0.94 BDKRB2 (0.42) BDKRB2NPC1RAB9AALDH1A1CASR
SCHEMBL8036098 0.94 CASR (0.44) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8034032 0.94 BDKRB2 (0.43) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8030205 0.94 CASR (0.42) BDKRB2EPHX1NPC1RAB9AALDH1A1
SCHEMBL8020768 0.93 CASR (0.45) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8031799 0.93 BDKRB2 (0.42) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8020763 0.90 EPHX1 (0.39) BDKRB2EPHX1EPHX2NPC1RAB9A
SCHEMBL8030003 0.90 BDKRB2 (0.42) BDKRB2EPHX2NPC1RAB9AALDH1A1
SCHEMBL8034153 0.90 EPHX2 (0.41) BDKRB2EPHX1EPHX2NPC1RAB9A

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