SCHEMBL6050445

SCHEMBL6050445

CC(=O)C(C(C)=O)C(C)=O.CCCC(=O)C(C(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1318841 0.98 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL4940589 0.85 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL11727566 0.85 CES1 (0.43) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL11556450 0.85 CES1 (0.43) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL8525838 0.79 LMNA (0.46) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL1930965 0.78 TDP1 (0.38) HDAC1HDAC2FFAR3CHRM1AKR1A1
SCHEMBL982455 0.77 CES2 (0.50) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL4727242 0.74 CA1 (0.38) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL1177027 0.74 ALDH1A1 (0.41) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL3297474 0.74 ALDH1A1 (0.46) HDAC1HDAC2HDAC3HDAC8FFAR3

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
EP-1644435-A2 STABILIZING COMPOSITION FOR CHLORINE-CONTAINING POLYMERS ARKEMA (FR) 2006-04-12 EP disclosed
WO-2005005530-A2 STABILIZING COMPOSITION FOR CHLORINE-CONTAINING POLYMERS ARKEMA (FR) 2005-01-20 WO disclosed