SCHEMBL8036083

SCHEMBL8036083

CN(C(=O)COc1ccccc1N(CC1CCCCCC1)C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX1 P07099 2/20 0.36
HTR2A P28223 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
NOD2 Q9HC29 1/20 0.35
EPHX2 P34913 1/20 0.35
CCR3 P51677 2/20 0.35
PPIB P23284 1/20 0.35
HPSE Q9Y251 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAPT P10636 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL8020796 1.00 KMT2A (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8034130 0.99 KMT2A (0.42) KMT2AMEN1GAACNR1CNR2
SCHEMBL8031812 0.98 KMT2A (0.42) KMT2AMEN1GAACNR1CNR2
SCHEMBL8033897 0.96 KMT2A (0.43) KMT2AMEN1GAAHTR2ASMN1; SMN2
SCHEMBL8030427 0.95 MEN1 (0.37) KMT2AMEN1GAACNR1CNR2
SCHEMBL8030235 0.94 EPHX2 (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8033912 0.94 EPHX2 (0.41) KMT2AMEN1GAACNR1CNR2
SCHEMBL8029560 0.94 MEN1 (0.36) KMT2AMEN1GAACNR1CNR2
SCHEMBL8030316 0.94 MEN1 (0.35) KMT2AMEN1GAACNR1CNR2
SCHEMBL8020918 0.93 KMT2A (0.39) 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