SCHEMBL6828962

SCHEMBL6828962

Cc1ccc(C(=O)Nc2ccc(NC(=O)O)cc2)c(OC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
AKR1C3 P42330 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
PLG P00747 3/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
POLB P06746 1/20 0.46
AHR P35869 1/20 0.46
RORC P51449 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6646553 0.81 MAPT (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1699147 0.80 ALDH1A1 (0.56) KCNK3KCNK9KMT2AIDO1TDO2
SCHEMBL6645352 0.80 MAPT (0.57) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6646478 0.77 KCNK3 (0.45) KCNK3KCNK9NPC1NFKB1RAB9A
SCHEMBL2772492 0.77 IDO1 (0.51) KCNK3KCNK9L3MBTL1MEN1KMT2A
SCHEMBL29370483 0.77 IDO1 (0.61) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL6645872 0.76 MELK (0.48) KCNK3KCNK9NPC1NFKB1RAB9A
SCHEMBL6643134 0.76 HTT (0.50) KCNK3KCNK9NPC1RAB9AL3MBTL1
SCHEMBL20215156 0.75 IDO1 (0.49) KCNK3KCNK9KMT2AIDO1TDO2
SCHEMBL20215155 0.75 IDO1 (0.49) KCNK3KCNK9KMT2AIDO1TDO2

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed