SCHEMBL6865511

SCHEMBL6865511

CCCCOC(=O)Cn1c(C)ccc(N)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 5/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL30766038 0.79 KMT2A (0.50) MEN1KMT2AL3MBTL1GAATSHR
SCHEMBL4456432 0.75 APEX1 (0.42) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL1988320 0.70 ALDH1A1 (0.66) MEN1KMT2AL3MBTL1GAATSHR
SCHEMBL8642946 0.70 KDM4E (0.46) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL30069317 0.69 MEN1 (0.66) MEN1KMT2AL3MBTL1GAATSHR
SCHEMBL4399107 0.67 GSK3A (0.69) MEN1KMT2AL3MBTL1GAATSHR
SCHEMBL30765923 0.67 MEN1 (0.54) MEN1KMT2AL3MBTL1GAATSHR
SCHEMBL521967 0.66 ALDH1A1 (0.83) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL15023923 0.65 GSK3A (0.65) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL14926801 0.65 GSK3A (0.65) MEN1KMT2AL3MBTL1TSHRALDH1A1

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-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed