SCHEMBL5485260

SCHEMBL5485260

CCOC(=O)C(CC)CCNc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 3/20 0.49
EGFR P00533 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
BLM P54132 2/20 0.49
RAD52 P43351 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
MAOA P21397 1/20 0.48
RAB9A P51151 2/20 0.46
PABPC1 P11940 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 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
SCHEMBL5485262 0.83 MAOA (0.48) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11134321 0.78 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11964749 0.77 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL30066019 0.76 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1899261 0.76 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL10781791 0.76 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11142221 0.75 NSD2 (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL373158 0.75 MAOA (0.49) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9893975 0.74 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9893976 0.74 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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
US-20070149699-A1 Contact lens material MENICON CO., LTD. (JP) 2007-06-28 US disclosed