SCHEMBL8030341

SCHEMBL8030341

CN(C(=O)COc1ccccc1N(CC1CCCCC1)C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.40
EPHX2 P34913 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MITF O75030 2/20 0.38
PAX8 Q06710 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KLF5 Q13887 1/20 0.38
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
CASR P41180 1/20 0.35
CCR3 P51677 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
EPHX1 P07099 1/20 0.35
POLB P06746 1/20 0.34
CXCR1 P25024 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
SCHEMBL8030402 0.99 BDKRB2 (0.40) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8031876 0.94 EPHX2 (0.40) BDKRB2EPHX2RAB9ASMN1; SMN2CASR
SCHEMBL8030420 0.94 BDKRB2 (0.39) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8029973 0.93 BDKRB2 (0.40) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8020615 0.93 EPHX2 (0.41) BDKRB2EPHX2RAB9ASMN1; SMN2CASR
SCHEMBL8033794 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9AMITFPAX8
SCHEMBL8034123 0.92 BDKRB2 (0.42) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8030290 0.91 BDKRB2 (0.42) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8030154 0.91 BDKRB2 (0.40) BDKRB2EPHX2NPC1RAB9AMITF
SCHEMBL8030316 0.90 MEN1 (0.35) EPHX2SMN1; SMN2CCR3HTR2AEPHX1

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