SCHEMBL2417844

SCHEMBL2417844

CCCCOC(=O)CC(CCCC)(C(=O)O)C(O)(C(=O)O)C(CCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ATM Q13315 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2423572 0.91 MEN1 (0.43) MEN1HPGDRECQLKMT2AHSD17B10
Tributyl Citrate SCHEMBL29372408 0.90 MEN1 (0.39) MEN1HPGDRECQLKMT2AHSD17B10
Tributyl Citrate SCHEMBL29896783 0.88 MEN1 (0.37) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL2426682 0.87 KMT2A (0.56) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL2423479 0.84 MEN1 (0.50) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL588170 0.84 HSPD1 (0.46) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL2416735 0.82 HPGD (0.39) MEN1HPGDRECQLKMT2AHSD17B10
Triethyl Citrate SCHEMBL30689845 0.81 MEN1 (0.39) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL30782572 0.81 MEN1 (0.45) MEN1HPGDRECQLKMT2AHSD17B10
Ether SCHEMBL31356987 0.80 HSPD1 (0.41) MEN1HPGDRECQLKMT2AHSD17B10

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
EP-1491523-B1 ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION DAIHACHI CHEM IND (JP) 2011-09-14 EP claimed