SCHEMBL9518291

SCHEMBL9518291

CC(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2cc(Cl)cc3c2OCOC3)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9518932 0.83 RORC (0.31)
SCHEMBL6970351 0.69 CYP2A6 (0.38)
SCHEMBL31359403 0.68 MEN1 (0.31) KMT2AMEN1NPSR1
SCHEMBL6963771 0.68
SCHEMBL9521480 0.67 TSHR (0.40) TSHRUSP2ALDH1A1KMT2AGAA
SCHEMBL7809080 0.63 MAPT (0.34) NPC1RAB9APKMNPSR1MAPT
SCHEMBL12504656 0.61 TSHR (0.43) TSHRUSP2ALDH1A1KMT2AGAA
SCHEMBL23879944 0.60 ALDH1A1 (0.43) TSHRUSP2ALDH1A1KMT2AGAA
SCHEMBL12412399 0.60 TSHR (0.40) TSHRUSP2ALDH1A1KMT2AGAA
SCHEMBL6959823 0.60 CYP2A6 (0.35)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478729-A4 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR 1993-06-16 EP claimed
EP-0478729-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. NUTRASWEET CO (US) 1992-04-08 EP claimed
WO-1991014378-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR THE NUTRASWEET COMPANY (US) 1991-10-03 WO claimed
EP-0478729-A4 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR 1993-06-16 EP disclosed
EP-0478729-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. NUTRASWEET CO (US) 1992-04-08 EP disclosed
WO-1991014378-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR THE NUTRASWEET COMPANY (US) 1991-10-03 WO disclosed