SCHEMBL4409901

SCHEMBL4409901

CCOC(=O)CC(=O)CCOC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
FAAH O00519 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3823424 0.84 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7903373 0.81 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1127304 0.79 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL563195 0.79 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3339428 0.77 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13323625 0.77 CYP1A2 (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10048124 0.77 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2262832 0.77 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2074701 0.77 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29116744 0.76 KDM4E (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009077608-A1 2 -AMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-25 WO disclosed