SCHEMBL8905304

SCHEMBL8905304

CCOC(=O)C=CC1CCc2ccccc2N1C(=O)C(=O)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 1/20 0.38
ACE P12821 3/20 0.37
ABCB11 O95342 1/20 0.37
AGTR2 P50052 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8905306 0.90 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL8905122 0.82 MTNR1A (0.44) L3MBTL1MEN1KMT2ATSHRMTNR1A
SCHEMBL8905128 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1NOTUMLMNACYP1A2
SCHEMBL26103579 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1NOTUMLMNA
SCHEMBL8904621 0.75 NOTUM (0.49) ALDH1A1MEN1KMT2ANOTUMLMNA
SCHEMBL25263139 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1NOTUMLMNA
SCHEMBL26102775 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1NOTUMLMNA
SCHEMBL8905255 0.72 MTNR1A (0.45) L3MBTL1MEN1KMT2ATSHRMTNR1A
SCHEMBL7831498 0.70 POLB (0.56) ALDH1A1L3MBTL1MEN1KMT2ANOTUM
SCHEMBL11756352 0.69 MTNR1A (0.48) ALDH1A1L3MBTL1MEN1KMT2ANOTUM

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