SCHEMBL8313747

SCHEMBL8313747

CCOC(=O)OC1CC(C)CN1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
NLRP3 Q96P20 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
DRD1 P21728 1/20 0.32
CHRM1 P11229 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8317474 0.90 KMT2A (0.35) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8313446 0.89 KMT2A (0.37) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8314379 0.89 DRD1 (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8317651 0.88 PIK3CD (0.39) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8313957 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AMEN1NLRP3
SCHEMBL8318503 0.87 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8312985 0.83 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8317336 0.82 OPRK1 (0.35) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL8876386 0.81 CTSS (0.40) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL8317180 0.81 CYP3A4 (0.35) ALDH1A1MAPTKDM4EKMT2AMEN1

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-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed