SCHEMBL16701742

SCHEMBL16701742

CCOC(=O)CC(=O)C1CCN(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.39
CHRM1 P11229 1/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27719502 0.84 ALDH1A1 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13006886 0.82 GAA (0.49) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL1014646 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13257071 0.81 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8260610 0.80 MAPT (0.58) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL583783 0.80 HPGD (0.52) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL1576143 0.79 GAA (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17713632 0.78 HSD11B1 (0.40) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL1617817 0.78 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2005270 0.78 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed