SCHEMBL8034123

SCHEMBL8034123

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CC2CCCCC2)C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 2/20 0.40
PAX8 Q06710 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KLF5 Q13887 1/20 0.40
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35
EPHX1 P07099 1/20 0.35
POLB P06746 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
SCHEMBL8030290 0.99 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8020547 0.94 BDKRB2 (0.41) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8036239 0.94 CASR (0.40) BDKRB2RAB9ACASRALDH1A1EPHX2
SCHEMBL8033794 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030003 0.93 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8033892 0.93 CASR (0.39) BDKRB2RAB9ACASRALDH1A1EPHX2
SCHEMBL8030341 0.92 BDKRB2 (0.40) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030402 0.91 BDKRB2 (0.40) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8036324 0.91 CCKBR (0.36) BDKRB2ALDH1A1EPHX2EPHX1
SCHEMBL8031799 0.90 BDKRB2 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF

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