SCHEMBL2364323

SCHEMBL2364323

CCOC(=O)CC(=O)CCl.CCOC(=O)CC(O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
FAAH O00519 1/20 0.39
ALDH1A1 P00352 5/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 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
SCHEMBL14297014 0.88 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL214007 0.88 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL96394 0.88 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL96009 0.88 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL54877 0.84 GAA (0.64) GAAMGAMSIMGAM2FAAH
SCHEMBL30381316 0.82 GAA (0.61) GAAMGAMSIMGAM2FAAH
SCHEMBL28359032 0.82 GAA (0.61) GAAMGAMSIMGAM2FAAH
SCHEMBL4983773 0.80 GAA (0.58) GAAMGAMSIMGAM2FAAH
Formaldehyde SCHEMBL459758 0.80 GAA (0.58) GAAMGAMSIMGAM2FAAH
SCHEMBL14297015 0.79 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1

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-2356226-A2 NOVEL ENZYME ISIS INNOVATION LIMITED (GB) 2011-08-17 EP disclosed
WO-2010041055-A2 NOVEL ENZYME ISIS INNOVATION LIMITED (GB) 2010-04-15 WO disclosed