SCHEMBL8905306

SCHEMBL8905306

CCOC(=O)C=CC1CCc2ccccc2N1C(=O)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 3/20 0.38
NPY2R P49146 1/20 0.38
ABCB11 O95342 1/20 0.38
AGTR2 P50052 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8905304 0.90 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL8905128 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1NOTUMNPSR1PKM
SCHEMBL26103579 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1NOTUMNPSR1
SCHEMBL8905262 0.76 MTNR1A (0.41) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL8904624 0.74 NOTUM (0.50) ALDH1A1L3MBTL1MEN1KMT2ANOTUM
SCHEMBL25263139 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1NOTUMNPSR1
SCHEMBL26102775 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1NOTUMNPSR1
SCHEMBL8905122 0.71 MTNR1A (0.44) L3MBTL1MEN1KMT2AACEPOLB
SCHEMBL7831498 0.71 POLB (0.56) ALDH1A1L3MBTL1MEN1KMT2ANOTUM
SCHEMBL8905311 0.70 L3MBTL1 (0.33) L3MBTL1TDP1GAA

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
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed