SCHEMBL2416735

SCHEMBL2416735

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
DGKA P23743 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
FAAH O00519 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
Dibutyl Sebacate SCHEMBL8109782 0.87 DGKA (0.45) HPGDMEN1RECQLKMT2AHSD17B10
SCHEMBL2417844 0.82 MEN1 (0.42) HPGDMEN1RECQLKMT2AHSD17B10
SCHEMBL2419876 0.82 MEN1 (0.46) HPGDMEN1RECQLKMT2AHSD17B10
SCHEMBL30016968 0.78 HSPD1 (0.34) HPGDMEN1RECQLKMT2AHSD17B10
SCHEMBL30195 0.78 HSPD1 (0.34) HPGDMEN1RECQLKMT2AHSD17B10
SCHEMBL15353035 0.78 HSPD1 (0.34) HPGDMEN1RECQLKMT2AHSD17B10
Triethyl Citrate SCHEMBL2841857 0.75 MEN1 (0.30) HPGDMEN1RECQLKMT2AHSD17B10
Succinic Acid Diethyl Ester SCHEMBL31582560 0.75 CYP1A2 (0.34) HPGDMEN1RECQLKMT2AHSD17B10
Tridecan-1-Ol SCHEMBL29743401 0.75 HSPD1 (0.42) HPGDMEN1RECQLKMT2AHSD17B10
Tributyl Citrate SCHEMBL29372408 0.75 MEN1 (0.39) HPGDMEN1RECQLKMT2AHSD17B10

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