SCHEMBL8020876

SCHEMBL8020876

CC(C)=CCCN(C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1OCC(=O)N(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PPIB P23284 1/20 0.35
HPSE Q9Y251 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
BDKRB2 P30411 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
KDR P35968 1/20 0.32
FABP4 P15090 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL8034158 0.90 KMT2A (0.47) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8029980 0.89 MTNR1A (0.37) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8033748 0.88 KMT2A (0.41) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030586 0.88 KMT2A (0.44) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8033880 0.88 KMT2A (0.44) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030196 0.88 KMT2A (0.41) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030535 0.86 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8020970 0.86 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8020809 0.86 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8034027 0.86 KMT2A (0.42) KMT2AMEN1GAAMAPK1NTSR1

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