SCHEMBL8316253

SCHEMBL8316253

CCOC(=O)OC1CC(OC)CN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
NLRP3 Q96P20 1/20 0.32
POLB P06746 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
OPRK1 P41145 3/20 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
SCHEMBL8318503 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANLRP3
SCHEMBL8317543 0.87 VHL (0.34) CYP3A4ALDH1A1MEN1KMT2AMAPK1
SCHEMBL8313957 0.87 ALDH1A1 (0.33) CYP3A4ALDH1A1MEN1KMT2AMAPK1
SCHEMBL8314255 0.86 CYP3A4 (0.35) CYP3A4MEN1KMT2ANLRP3POLB
SCHEMBL8312982 0.85 OPRK1 (0.35) CYP3A4ALDH1A1MEN1KMT2APOLB
SCHEMBL8318785 0.82 KMT2A (0.43) CYP3A4ALDH1A1MEN1KMT2ANLRP3
SCHEMBL8316437 0.82 MEN1 (0.33) CYP3A4ALDH1A1MEN1KMT2AMAPK1
SCHEMBL8878158 0.81 POLB (0.36) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL8314818 0.81 KMT2A (0.37) MEN1KMT2AMAPK1NLRP3POLB
SCHEMBL9536573 0.79 MEN1 (0.43) MEN1KMT2AMAPK1POLBOPRK1

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