SCHEMBL6509824

SCHEMBL6509824

CCOC(=O)CCc1cccc(C#CCN2c3ccccc3Oc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CLCN2 P51788 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3B P49841 1/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MYC P01106 1/20 0.31
GLA P06280 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6530940 0.90 KMT2A (0.39) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6528744 0.86 THRB (0.36) CYP4F2CYP4A11CLCN2ALDH1A1GAA
SCHEMBL6527238 0.84 NPSR1 (0.45) CYP4F2CYP4A11CLCN2ALDH1A1GAA
SCHEMBL6528870 0.83 NOTUM (0.39) CYP4F2CYP4A11CLCN2ALDH1A1GAA
SCHEMBL6502389 0.79 ALDH1A1 (0.38) CYP4F2CYP4A11CLCN2ALDH1A1GAA
SCHEMBL6506652 0.78 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1GAARXFP1
SCHEMBL6529673 0.68 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1GAAMEN1
SCHEMBL6530164 0.64 PPARG (0.34) ALDH1A1RXFP1KMT2APOLBNPC1
SCHEMBL4818941 0.61 MEN1 (0.61) ALDH1A1RXFP1MEN1KMT2APOLB
SCHEMBL6607746 0.61 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBL3MBTL1

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-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed