SCHEMBL8317256

SCHEMBL8317256

CCOC(=O)OC1CCC(C)N1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 2/20 0.34
CHRM1 P11229 3/20 0.33
ATM Q13315 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
DRD2 P14416 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
SCHEMBL8318118 0.93 ALDH1A1 (0.45) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8318010 0.88 KMT2A (0.47) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8313620 0.88 P2RX7 (0.34) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8312985 0.86 ALDH1A1 (0.34) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8314253 0.83 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8316864 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8317246 0.82 KMT2A (0.45) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8315905 0.81 ALDH1A1 (0.40) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8317474 0.81 KMT2A (0.35) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL8875077 0.81 KMT2A (0.42) ALDH1A1GLAHPGDKMT2AMEN1

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