SCHEMBL8020809

SCHEMBL8020809

CCC(CC)CCN(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 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PPIB P23284 1/20 0.35
HPSE Q9Y251 1/20 0.35
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
NPC1 O15118 1/20 0.33
CASR P41180 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
SENP1 Q9P0U3 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
SCHEMBL8020860 0.95 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8020829 0.93 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8020831 0.93 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8020799 0.92 KMT2A (0.41) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8030119 0.91 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8020970 0.91 KMT2A (0.40) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8030345 0.90 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8033748 0.90 KMT2A (0.41) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8034158 0.90 KMT2A (0.47) KMT2AMEN1GAASMN1; SMN2MAPK1
SCHEMBL8030535 0.89 KMT2A (0.40) KMT2AMEN1GAASMN1; 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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed