SCHEMBL8314818

SCHEMBL8314818

CCOC(=O)OC1CC(C)CCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
OPRK1 P41145 3/20 0.34
OPRM1 P35372 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP19A1 P11511 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8313446 0.89 KMT2A (0.37) KMT2AMEN1OPRK1OPRM1CYP19A1
SCHEMBL8313957 0.89 ALDH1A1 (0.33) KMT2AMEN1POLBOPRK1MAPK1
SCHEMBL8317692 0.86 POLB (0.35) KMT2AMEN1POLBOPRK1OPRM1
SCHEMBL9536573 0.85 MEN1 (0.43) KMT2AMEN1POLBOPRK1OPRM1
SCHEMBL8310881 0.85 ALDH1A1 (0.39) KMT2AMEN1POLBOPRK1OPRM1
SCHEMBL8316437 0.83 MEN1 (0.33) KMT2AMEN1POLBOPRK1OPRM1
SCHEMBL8315952 0.83 KMT2A (0.47) KMT2AMEN1POLBOPRK1OPRM1
SCHEMBL8317543 0.82 VHL (0.34) KMT2AMEN1POLBOPRK1MAPK1
SCHEMBL8313613 0.82 MEN1 (0.36) KMT2AMEN1POLBHRH3OPRK1
SCHEMBL8876637 0.82 POLB (0.40) KMT2AMEN1POLBMAPK1KDM4E

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