SCHEMBL8995768

SCHEMBL8995768

CCOC(=O)CCC(CC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PKM P14618 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 3/20 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
SCHEMBL7860159 0.86 MEN1 (0.57) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL14600833 0.85 MEN1 (0.47) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL1406293 0.81 MEN1 (0.44) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL28125259 0.79 MEN1 (0.42) MEN1KMT2ACYP1A2PKMTHRB
SCHEMBL1406291 0.78 CYP1A2 (0.48) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL1406264 0.77 CYP1A2 (0.44) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL29271676 0.77 MEN1 (0.47) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL1406218 0.77 CYP1A2 (0.44) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL16217676 0.77 MEN1 (0.52) MEN1KMT2ACYP1A2GAAMGAM
SCHEMBL9788191 0.77 MEN1 (0.47) MEN1KMT2ACYP1A2GAAMGAM

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
US-5523462-A HERBICIDES; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed