SCHEMBL8313446

SCHEMBL8313446

CCOC(=O)OC1CC(C)CCN1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CFB P00751 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP19A1 P11511 1/20 0.33
DRD1 P21728 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL8315952 0.89 KMT2A (0.47) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8314818 0.89 KMT2A (0.37) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8313747 0.89 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317474 0.83 KMT2A (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8310881 0.83 ALDH1A1 (0.39) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317651 0.82 PIK3CD (0.39) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8875560 0.82 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317229 0.82 KMT2A (0.38) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317692 0.82 POLB (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8318503 0.81 ALDH1A1 (0.34) KMT2ASMN1; SMN2MEN1GAAALDH1A1

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