SCHEMBL8317101

SCHEMBL8317101

CCOC(=O)OC1CC(C)C(C)N1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 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
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8316864 0.88 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AMAPK1NLRP3
SCHEMBL8317735 0.85 SMN1; SMN2 (0.37) L3MBTL1MEN1KMT2ANLRP3SMN1; SMN2
SCHEMBL8316536 0.85 MEN1 (0.32) MEN1KMT2AMAPK1NLRP3SMN1; SMN2
SCHEMBL8316895 0.84 HSD11B1 (0.33) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8313620 0.82 P2RX7 (0.34) MEN1KMT2AMAPK1NLRP3SMN1; SMN2
SCHEMBL8317719 0.82 KMT2A (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8314373 0.81 MEN1 (0.32) MEN1KMT2AMAPK1NLRP3SMN1; SMN2
SCHEMBL8877801 0.81 KMT2A (0.36) L3MBTL1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8315905 0.81 ALDH1A1 (0.40) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8313957 0.79 ALDH1A1 (0.33) MEN1KMT2AMAPK1NLRP3ALDH1A1

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