SCHEMBL10836799

SCHEMBL10836799

CC(=O)CCC(C)=O.CCC(=O)CC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.50
KDM6B O15054 1/20 0.50
KDM5C P41229 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
PHF8 Q9UPP1 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.46
SLC15A2 Q16348 1/20 0.46
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 1/20 0.35
PAOX Q6QHF9 3/20 0.33
ACHE P22303 1/20 0.33
FFAR3 O14843 1/20 0.33
TRPA1 O75762 1/20 0.32
HDAC3 O15379 1/20 0.31

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
SCHEMBL93362 0.91
SCHEMBL8671776 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL1618235 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL9354989 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL29587554 0.88
SCHEMBL11738652 0.88
Acetone SCHEMBL9742260 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL20481945 0.88
SCHEMBL20478152 0.88
SCHEMBL6053449 0.88

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-4611033-A Process for stabilizing a poly(aryl ether ketone) UNION CARBIDE CORPORATION (US) 1986-09-09 US disclosed