SCHEMBL9544681

SCHEMBL9544681

CC1(C)CC(NC(=O)C(=O)NN2C(=O)CCC2=O)CC(C)(C)N1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
TP53 P04637 2/20 0.42
GLA P06280 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
EZH2 Q15910 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10562866 0.81 GAA (0.43) GAAPOLBALDH1A1RECQLTP53
SCHEMBL10396993 0.81 GAA (0.43) GAAPOLBALDH1A1RECQLTP53
SCHEMBL3295977 0.80 RECQL (0.57) GAAPOLBALDH1A1RECQLGLA
SCHEMBL10396696 0.80 GAA (0.42) GAAPOLBALDH1A1RECQLTP53
SCHEMBL14628813 0.79 GAA (0.40) GAAPOLBALDH1A1RECQLTP53
SCHEMBL10560570 0.78 GAA (0.43) GAAPOLBALDH1A1RECQLTP53
SCHEMBL10559771 0.77 HDAC4 (0.33) GAAMAPTKDM4E
SCHEMBL10563381 0.76 MAPK1 (0.41) GAAPOLBALDH1A1RECQLTP53
SCHEMBL14628814 0.76 GAA (0.39) GAAPOLBALDH1A1RECQLTP53
SCHEMBL10396691 0.76 GAA (0.39) GAAPOLBALDH1A1RECQLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993024935-A1 TELEPHONE CABLES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-12-09 WO disclosed