SCHEMBL16701935

SCHEMBL16701935

CCOC(=O)CC(=O)C1CCNC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
EPHX2 P34913 2/20 0.34
RECQL P46063 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.31

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
SCHEMBL13848940 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31398515 0.80 MAPT (0.42) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL17520178 0.80 MAPT (0.42) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1014646 0.77 GAA (0.58) GAAMGAMSIMGAM2EPHX2
Hydrochloric Acid SCHEMBL9270696 0.76 MGAM (0.40) GAAMGAMSIMGAM2EPHX2
SCHEMBL1021806 0.76 MGAM (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2005270 0.74 GAA (0.54) GAAMGAMSIMGAM2EPHX2
SCHEMBL1617817 0.74 GAA (0.54) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL10236613 0.74 GAA (0.45) GAAMGAMSIMGAM2EPHX2
SCHEMBL2423835 0.73 GAA (0.48) GAAMGAMSIMGAM2EPHX2

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-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed