SCHEMBL8649477

SCHEMBL8649477

CCOC(=O)C(CCc1cc(C)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 4/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27340180 0.88 TSHR (0.50) CYP3A4TSHRALDH1A1GAA
SCHEMBL8650221 0.86 MAPT (0.49) L3MBTL1MAPTCRHBPCRHR2MAPK1
SCHEMBL7058019 0.85 L3MBTL1 (0.62) L3MBTL1MAPTCRHBPCRHR2MAPK1
SCHEMBL28900016 0.81 L3MBTL1 (0.48) L3MBTL1MAPTCRHBPCRHR2CYP3A4
SCHEMBL27583161 0.79 MAPT (0.47) L3MBTL1MAPTMAPK1CYP3A4TSHR
SCHEMBL4656849 0.79 ALDH1A1 (0.56) L3MBTL1MAPTMAPK1CYP3A4TSHR
SCHEMBL7061954 0.79 L3MBTL1 (0.55) L3MBTL1MAPTCRHBPCRHR2MAPK1
SCHEMBL18371949 0.78 MAPT (0.46) L3MBTL1MAPTCRHBPCRHR2MAPK1
SCHEMBL406358 0.78 MAPT (0.51) MAPTMAPK1CYP3A4TSHRMEN1
SCHEMBL27973235 0.77 L3MBTL1 (0.66) L3MBTL1MAPTCRHBPCRHR2MAPK1

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-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed