SCHEMBL8314913

SCHEMBL8314913

CCOC(=O)OC1C(C)CCCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NR1I2 O75469 1/20 0.33
EPHX2 P34913 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
OPRM1 P35372 1/20 0.32
CRHR1 P34998 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
SCHEMBL8313613 0.93 MEN1 (0.36) KMT2AMEN1HRH3POLBALDH1A1
SCHEMBL8315440 0.89 KMT2A (0.39) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL8316152 0.86 POLB (0.37) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL8315832 0.85 KMT2A (0.38) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL9536573 0.83 MEN1 (0.43) KMT2AMEN1POLBHPGDMAPK1
SCHEMBL8317105 0.83 KMT2A (0.48) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL8317229 0.82 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL8878180 0.82 POLB (0.40) KMT2AMEN1HRH3POLBALDH1A1
SCHEMBL8314818 0.80 KMT2A (0.37) KMT2AMEN1HRH3POLBMAPK1
SCHEMBL8314698 0.79 SMN1; SMN2 (0.35) KMT2AMEN1POLBGAAKDM4E

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