SCHEMBL9987659

SCHEMBL9987659

CC(C)COC(=O)Nc1cccc(Cn2cc[c]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.48
ALOX15 P16050 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MET P08581 3/20 0.39
HSD17B10 Q99714 1/20 0.38
PTGER1 P34995 1/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MGLL Q99685 1/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 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
SCHEMBL970678 0.83 MEN1 (0.46) HTTTSHRALOX15MEN1KMT2A
SCHEMBL14622137 0.71 LMNA (0.60) HTTTSHRLMNAALOX15MAPK1
SCHEMBL10191990 0.71 LMNA (0.79) HTTTSHRLMNAALOX15MAPK1
SCHEMBL10937909 0.71 LMNA (0.60) HTTTSHRLMNAALOX15MAPK1
SCHEMBL9188592 0.71 PPARG (0.48) HTTTSHRLMNAALOX15MAPK1
SCHEMBL7091790 0.70 LMNA (0.58) HTTTSHRLMNAALOX15MAPK1
SCHEMBL4962812 0.70 HPGD (0.68) HTTTSHRLMNAALOX15MAPK1
SCHEMBL5209200 0.70 LMNA (0.58) HTTTSHRLMNAALOX15MAPK1
SCHEMBL9987539 0.69 SMN1; SMN2 (0.40) HTTTSHRLMNAMAPK1SMN1; SMN2
SCHEMBL8602983 0.69 LMNA (0.74) HTTTSHRLMNAALOX15MAPK1

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
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed