SCHEMBL9396153

SCHEMBL9396153

CCCC(=O)C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
MAPT P10636 6/20 0.76
POLB P06746 3/20 0.76
KDM4E B2RXH2 2/20 0.76
TSHR P16473 1/20 0.76
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15457517 0.86 ALDH1A1 (1.00) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL3631729 0.86 ALDH1A1 (0.71) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL22402568 0.85 ALDH1A1 (0.96) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL13016591 0.79 ALDH1A1 (0.67) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL10192810 0.78 HSD17B10 (0.52) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL10637694 0.78 MAPT (0.47) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL9672366 0.78 ALDH1A1 (0.47) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL10625544 0.76 KDM4E (0.46) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL3197546 0.76 MAPT (0.62) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL1220095 0.76 ALDH1A1 (0.62) ALDH1A1MAPTPOLBKDM4ETSHR

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
WO-1994026696-A1 HERBICIDAL CYCLOHEXANES DUNLENA PTY. LIMITED (AU) 1994-11-24 WO disclosed
WO-1993010081-A1 HERBICIDAL 2(SUBSTITUTED OXIME)-CYCLOHEXAN-1,3-DIONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1993-05-27 WO disclosed