SCHEMBL8317651

SCHEMBL8317651

CCOC(=O)OC1CC(O)CN1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
NLRP3 Q96P20 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
HTT P42858 1/20 0.32
VHL P40337 2/20 0.32
CHRM1 P11229 1/20 0.32
ATM Q13315 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
SCHEMBL8315579 0.89 KMT2A (0.43) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8313747 0.88 ALDH1A1 (0.35) ALDH1A1MAPTSIRT1KMT2AMEN1
SCHEMBL8317543 0.88 VHL (0.34) PIK3CDALDH1A1KMT2AMEN1POLB
SCHEMBL8318503 0.87 ALDH1A1 (0.34) ALDH1A1MAPTSIRT1KMT2AMEN1
SCHEMBL8317474 0.83 KMT2A (0.35) ALDH1A1MAPTSIRT1KMT2AMEN1
SCHEMBL8313446 0.82 KMT2A (0.37) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8317047 0.82 OPRK1 (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL8876496 0.81 KMT2A (0.40) PIK3CDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8317318 0.81 POLB (0.35) PIK3CDKMT2AMEN1SMN1; SMN2POLB
SCHEMBL9383401 0.79 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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