SCHEMBL8830747

SCHEMBL8830747

CC(C)OC(=O)C1(Cc2ccc([N+](=O)[O-])cc2)CCC(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.40
HTR2A P28223 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
EPHX1 P07099 3/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL8830938 0.85 KDM4E (0.34) SMN1; SMN2POLBMAPTALDH1A1GAA
SCHEMBL8830738 0.80 HTR2A (0.41) SMN1; SMN2POLBHTR2AL3MBTL1EPHX1
SCHEMBL8830877 0.73 POLB (0.41) SMN1; SMN2POLBALDH1A1
SCHEMBL8830793 0.67 TACR1 (0.41) POLBEPHX1MAPTALDH1A1LMNA
SCHEMBL7644243 0.65 MEN1 (0.49) HTR2AMAPTALDH1A1GAALMNA
SCHEMBL15658606 0.64 HTR2A (0.50) SMN1; SMN2HTR2AL3MBTL1MAPTALDH1A1
SCHEMBL10801173 0.64 HTR2A (0.67) SMN1; SMN2POLBHTR2AL3MBTL1MAPT
SCHEMBL4809726 0.64 ALDH1A1 (0.60) SMN1; SMN2POLBL3MBTL1MAPTALDH1A1
SCHEMBL31275535 0.64 ALDH1A1 (0.49) SMN1; SMN2POLBMAPTALDH1A1GAA
SCHEMBL7056327 0.63 TSHR (0.50) HTR2AMAPTALDH1A1KDM4ELMNA

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-5681979-A Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-10-28 US disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP disclosed