SCHEMBL8313613

SCHEMBL8313613

CCOC(=O)OC1C(C)CCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
NLRP3 Q96P20 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL8314913 0.93 KMT2A (0.37) MEN1KMT2APOLBMAPK1HRH3
SCHEMBL8317229 0.88 KMT2A (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8314698 0.85 SMN1; SMN2 (0.35) MEN1KMT2APOLBSMN1; SMN2P2RX7
SCHEMBL8316844 0.84 KMT2A (0.37) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL8315440 0.82 KMT2A (0.39) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL8314818 0.82 KMT2A (0.37) MEN1KMT2APOLBMAPK1HRH3
SCHEMBL8316443 0.82 KMT2A (0.48) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL8875891 0.81 POLB (0.41) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL9536573 0.80 MEN1 (0.43) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL8316152 0.79 POLB (0.37) MEN1KMT2APOLBSMN1; SMN2P2RX7

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