SCHEMBL6615199

SCHEMBL6615199

COc1ccc(NC(=O)OC2CC(=O)N(c3cc(C)ccc3C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.46
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL6609407 0.94 MAPT (0.54) MAPK1POLBMAPTKMT2ATP53
SCHEMBL6610923 0.90 HSD17B10 (0.42) MAPTKMT2ATP53MEN1SMN1; SMN2
SCHEMBL6616178 0.90 SMN1; SMN2 (0.47) POLBMAPTKMT2AMEN1GAA
SCHEMBL6614360 0.88 MEN1 (0.41) POLBMAPTKMT2ATP53MEN1
SCHEMBL6611273 0.87 MAPT (0.48) MAPTEPHX2KMT2ATP53MEN1
SCHEMBL6608607 0.87 HSD17B10 (0.40) MAPTKMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL6609911 0.87 MAPT (0.43) MAPTTP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6614799 0.87 MAPT (0.50) MAPK1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6608759 0.87 MAPT (0.43) MAPTKMT2ATP53MEN1SMN1; SMN2
SCHEMBL6611071 0.86 MAPT (0.43) POLBMAPTKMT2AMEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed