SCHEMBL8030320

SCHEMBL8030320

COc1cc(OC)cc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C(C)C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
BDKRB2 P30411 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
PSMB5 P28074 1/20 0.34
RORC P51449 1/20 0.34
NPC1 O15118 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
SCHEMBL27488060 0.96 CASR (0.40) CASRALDH1A1KMT2AMAPK1NTSR1
SCHEMBL8030124 0.96 CASR (0.43) CASRALDH1A1KMT2AMAPK1NTSR1
SCHEMBL8020962 0.93 CASR (0.37) CASRALDH1A1KMT2AMAPK1NTSR1
SCHEMBL8031766 0.92 CASR (0.40) CASRALDH1A1KMT2AMAPK1NTSR1
SCHEMBL27508822 0.91 CASR (0.43) CASRALDH1A1KMT2AMAPK1NTSR1
SCHEMBL8030238 0.91 RORC (0.36) CASRKMT2AMAPK1NTSR1HTT
SCHEMBL27508817 0.91 RORC (0.36) CASRKMT2AMAPK1NTSR1HTT
SCHEMBL8033810 0.90 CASR (0.36) CASRALDH1A1KMT2AMAPK1BDKRB2
SCHEMBL8030356 0.90 NOTUM (0.36) CASRKMT2AMAPK1NTSR1HTT
SCHEMBL8031966 0.90 BDKRB2 (0.37) CASRKMT2AMAPK1NTSR1HTT

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