SCHEMBL8020962

SCHEMBL8020962

COc1ccccc1N(C)C(=O)COc1ccccc1N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
RORC P51449 1/20 0.35
BDKRB2 P30411 4/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
OPRD1 P41143 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 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
SCHEMBL27486983 0.95 ALDH1A1 (0.39) CASRALDH1A1KMT2AMEN1GAA
SCHEMBL8031766 0.94 CASR (0.40) CASRALDH1A1KMT2AGAAMAPK1
SCHEMBL8030124 0.93 CASR (0.43) CASRALDH1A1KMT2AMEN1MAPK1
SCHEMBL8030320 0.93 CASR (0.40) CASRALDH1A1KMT2AMEN1GAA
SCHEMBL8030356 0.93 NOTUM (0.36) CASRKMT2AMEN1GAAMAPK1
SCHEMBL8032043 0.92 CASR (0.39) CASRALDH1A1KMT2AMEN1MAPK1
SCHEMBL8030122 0.91 KMT2A (0.36) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL8030577 0.91 NOTUM (0.36) CASRKMT2AMEN1GAAMAPK1
SCHEMBL8030238 0.91 RORC (0.36) CASRKMT2AMEN1GAAMAPK1
SCHEMBL8031966 0.91 BDKRB2 (0.37) CASRKMT2AMEN1GAAMAPK1

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