SCHEMBL8020773

SCHEMBL8020773

CN(C(=O)COc1ccccc1N(CCCC1CCCCC1)C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2A P28223 3/20 0.35
CCR3 P51677 3/20 0.35
EPHX1 P07099 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
PPARA Q07869 1/20 0.34
CCKBR P32239 2/20 0.33
CCKAR P32238 1/20 0.33
CASR P41180 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGIR P43119 1/20 0.33

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
SCHEMBL8020918 0.96 KMT2A (0.39) KMT2AMEN1GAACNR1CNR2
SCHEMBL8036083 0.91 KMT2A (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8020796 0.91 KMT2A (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8034153 0.91 EPHX2 (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8030482 0.91 CNR1 (0.37) KMT2AMEN1GAACNR1CNR2
SCHEMBL8034130 0.91 KMT2A (0.42) KMT2AMEN1GAACNR1CNR2
SCHEMBL8020763 0.90 EPHX1 (0.39) KMT2AMEN1GAACNR1CNR2
SCHEMBL8030169 0.90 CNR1 (0.36) KMT2AMEN1GAACNR1CNR2
SCHEMBL8020871 0.90 CNR1 (0.35) KMT2AMEN1GAACNR1CNR2
SCHEMBL8020921 0.90 ACHE (0.35) KMT2AMEN1GAACNR1CNR2

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed