SCHEMBL14865371

SCHEMBL14865371

CC(C)(C)C(=O)OCCN1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGF2 P09038 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENO1 P06733 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PRKCA P17252 2/20 0.33
ATM Q13315 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL14094402 0.85 ALDH1A1 (0.43) POLBGAANPSR1ALDH1A1HPGD
SCHEMBL5511917 0.83 ALDH1A1 (0.40) POLBGAANPSR1ALDH1A1HPGD
SCHEMBL3684078 0.79 ALDH1A1 (0.49) GAAALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16769831 0.79 ALDH1A1 (0.39) POLBGAANPSR1ALDH1A1HPGD
SCHEMBL9914134 0.79 NPSR1 (0.57) POLBGAANPSR1ALDH1A1HPGD
SCHEMBL28293612 0.77 FGF2 (0.45) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL18457392 0.77 POLB (0.48) POLBGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL29362852 0.75 POLB (0.38) POLBGAANPSR1ALDH1A1HPGD
SCHEMBL3106135 0.75 POLB (0.42) POLBGAANPSR1SMN1; SMN2ENO1
SCHEMBL31112932 0.74 ALDH1A1 (0.45) POLBALDH1A1HPGDHTTSMN1; SMN2

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed