SCHEMBL2802401

SCHEMBL2802401

CCCCOOC(=O)C(CC)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ATM Q13315 2/20 0.37
TSHR P16473 4/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL19692735 0.91 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL28279509 0.84 EPHX1 (0.44) ALDH1A1TSHREPHX1HCAR2NAAA
SCHEMBL27375764 0.83 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1485969 0.83 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2PPARALMNA
SCHEMBL27566942 0.76 CA2 (0.39) ALDH1A1ATMTSHRCA1CA2
SCHEMBL27643862 0.76 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL7616354 0.76 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1485971 0.75 ALDH1A1 (0.33) ALDH1A1CA1CA2SMN1; SMN2PPARA
SCHEMBL30233059 0.75 ALDH1A1 (0.46) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL27646327 0.75 HCAR2 (0.36) ALDH1A1ATMTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3460022-B1 COMPOSITIONS WHICH CAN BE USED AS A REFRIGERANT ARKEMA FRANCE (FR) 2023-06-28 EP disclosed
EP-3460022-A1 COMPOSITIONS WHICH CAN BE USED AS A REFRIGERANT ARKEMA FRANCE (FR) 2019-03-27 EP disclosed
EP-2092037-B1 COMPOSITIONS THAT CAN BE USED AS REFRIGERANTS ARKEMA FRANCE (FR) 2018-07-25 EP disclosed
EP-2239309-A2 Compositions which can be used as a refrigerant Arkema France (FR) 2010-10-13 EP disclosed