SCHEMBL8320047

SCHEMBL8320047

COC(=O)C1=C2CCCN2C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 2/20 0.46
GLA P06280 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
CA4 P22748 1/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL8319794 0.86 POLB (0.47) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8318029 0.85 ALDH1A1 (0.46) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8319747 0.83 POLB (0.46) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8318492 0.83 LMNA (0.44) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8323687 0.75 HPGD (0.55) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL12135876 0.74 KDM4E (0.70) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8086890 0.72 NPSR1 (0.65) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8317255 0.71 GAA (0.45) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL8325253 0.71 KMT2A (0.39) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL28054886 0.70 ALDH1A1 (0.54) ALDH1A1GAALMNAMAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP claimed