SCHEMBL18306129

SCHEMBL18306129

CCOC(=O)C(=CNc1ccc(OC)c(I)c1)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.60
NPSR1 Q6W5P4 5/20 0.54
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
PLIN1 O60240 1/20 0.45
POLB P06746 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45

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
SCHEMBL5295046 0.88 DHODH (0.65) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL3894378 0.87 DHODH (0.63) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL15053652 0.85 DHODH (0.60) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL2968074 0.85 DHODH (0.60) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL18988013 0.84 DHODH (0.63) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL10862397 0.83 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL18987970 0.82 DHODH (0.60) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL18988001 0.82 DHODH (0.60) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL13664760 0.81 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL10863692 0.80 DHODH (0.90) DHODHNPSR1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016199943-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-15 WO disclosed