SCHEMBL8314523

SCHEMBL8314523

CCOC(=O)OC1CCC(C2CCCCC2)N1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CCR1 P32246 1/20 0.34
EPHX2 P34913 2/20 0.34
MAPK1 P28482 3/20 0.32
POLB P06746 2/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.30
ACE P12821 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
SCHEMBL8314253 0.89 KMT2A (0.36) KMT2AMEN1CCR1POLBALDH1A1
SCHEMBL8315795 0.87 CCR1 (0.37) KMT2AMEN1CCR1POLBALDH1A1
SCHEMBL8313857 0.85 KMT2A (0.35) KMT2AMEN1CCR1POLBALDH1A1
SCHEMBL8312908 0.83 KMT2A (0.45) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8313620 0.83 P2RX7 (0.34) KMT2AMEN1MAPK1POLBALDH1A1
SCHEMBL8874920 0.83 KMT2A (0.39) KMT2AMEN1EPHX2MAPK1POLB
SCHEMBL8315905 0.81 ALDH1A1 (0.40) KMT2AMEN1MAPK1ALDH1A1HPGD
SCHEMBL9220150 0.80 KMT2A (0.44) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8314804 0.79 SIGMAR1 (0.43) KMT2AMAPK1POLBALDH1A1SMN1; SMN2
SCHEMBL9536573 0.79 MEN1 (0.43) KMT2AMEN1EPHX2MAPK1POLB

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