SCHEMBL6854948

SCHEMBL6854948

CCC(=O)c1occ(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
UBE2N P61088 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.30
THRB P10828 1/20 0.30
ATM Q13315 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
SCHEMBL4577239 0.76 MCL1 (0.41) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6855931 0.76 NQO1 (0.31) SMN1; SMN2
SCHEMBL6849922 0.71 MAPT (0.53) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6858030 0.69 CYP3A4 (0.33) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL9686058 0.67 ALDH1A1 (0.46) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL3062337 0.67 GAA (0.39) MAPTKDM4EUBE2NHSD17B10MEN1
SCHEMBL27272020 0.66 KMT2A (0.38) MAPTKDM4EHSD17B10MEN1CYP3A4
SCHEMBL6856079 0.66 CHRNA4 (0.47) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL8613357 0.65 MAPT (0.45) MAPTHSD17B10KMT2AL3MBTL1SMN1; SMN2
SCHEMBL19919916 0.65 CYP19A1 (0.33) MAPTKDM4EUBE2NHSD17B10MEN1

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
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed