SCHEMBL4710504

SCHEMBL4710504

CC(=O)C(=O)OCC1CCCCC1.CCCC(=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
FAAH O00519 2/20 0.36
ALDH1A1 P00352 4/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
METAP2 P50579 1/20 0.33
GLO1 Q04760 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3015078 0.89 LMNA (0.50) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL3019960 0.83 LMNA (0.52) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3018410 0.81 LMNA (0.48) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL7280876 0.80 HSD11B1 (0.44) FAAHALDH1A1METAP2HPGDATM
SCHEMBL7362812 0.78 METAP2 (0.42) FAAHALDH1A1METAP2HPGDATM
SCHEMBL4960125 0.75 LMNA (0.45) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL7641554 0.74 CYP1A2 (0.46) FAAHMETAP2
SCHEMBL29142679 0.74 ALDH1A1 (0.39) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
Ethyl Pyruvate SCHEMBL27609646 0.74 GLO1 (0.54) LMNAALDH1A1GLO1TSHR
SCHEMBL112407 0.74 CES2 (0.55) LMNAFAAHALDH1A1GLO1TSHR

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-1924327-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-05-28 EP disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed