SCHEMBL8312985

SCHEMBL8312985

CCOC(=O)OC1CC(C)CC(C)N1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 2/20 0.31
CHRM1 P11229 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL8312682 0.89 KMT2A (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL8316536 0.89 MEN1 (0.32) ALDH1A1KMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL8317256 0.86 ALDH1A1 (0.39) ALDH1A1MAPTGLAHPGDKMT2A
SCHEMBL8316864 0.85 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8318118 0.84 ALDH1A1 (0.45) ALDH1A1MAPTGLAHPGDKMT2A
SCHEMBL8317855 0.83 KMT2A (0.34) ALDH1A1MAPTGLAHPGDKMT2A
SCHEMBL8313747 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL8878145 0.81 KMT2A (0.41) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8314030 0.81 SMN1; SMN2 (0.36) ALDH1A1GLAHPGDKMT2AMEN1
SCHEMBL8313446 0.81 KMT2A (0.37) ALDH1A1MAPTHPGDKMT2AMEN1

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