SCHEMBL2232704

SCHEMBL2232704

O=C(O)CCC(C(=O)O)(C1CCCC1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
KDM5A P29375 3/20 0.33
PHF8 Q9UPP1 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
EPHX2 P34913 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EPHX1 P07099 1/20 0.31
FOLH1 Q04609 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
SCHEMBL19148259 0.98 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL19150278 0.98 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL19148632 0.88 ALDH1A1 (0.39) ALDH1A1CYP1A2LMNAKEAP1NFE2L2
SCHEMBL668614 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2LMNAKEAP1NFE2L2
SCHEMBL19148633 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2LMNAKEAP1NFE2L2
SCHEMBL17910033 0.83 EPHX1 (0.43) ALDH1A1MEN1KMT2ALMNAKDM5A
SCHEMBL10891164 0.80 KEAP1 (0.31) KEAP1NFE2L2
SCHEMBL29142969 0.78 KEAP1 (0.37) ALDH1A1KEAP1NFE2L2EPHX2
SCHEMBL10358243 0.77 KEAP1 (0.36) ALDH1A1LMNAKEAP1NFE2L2KDM5A
SCHEMBL874180 0.76 TSHR (0.46) ALDH1A1MEN1THRBKMT2ALMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405518-B1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2019-11-06 EP disclosed
EP-3405518-A1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2018-11-28 EP disclosed
WO-2017125458-A1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2017-07-27 WO disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed