SCHEMBL2802408

SCHEMBL2802408

CCCCOCC(OCC)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PLA2G2C Q5R387 4/20 0.40
ADRA1D P25100 1/20 0.39
PTAFR P25105 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CES2 O00748 1/20 0.38
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
PRKCA P17252 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL28007066 0.91 ALDH1A1 (0.44) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D
SCHEMBL11124575 0.86 ALDH1A1 (0.42) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D
SCHEMBL4070149 0.83 TSHR (0.39) ALDH1A1PRKCATSHR
SCHEMBL9061242 0.83 TSHR (0.46) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D
SCHEMBL8143953 0.81 TSHR (0.41) USP2LPAR1LPAR3PRKCATSHR
SCHEMBL28606066 0.80 ADRA1D (0.52) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D
SCHEMBL861924 0.80 ALDH1A1 (0.36) ALDH1A1PRKCATSHR
SCHEMBL4400024 0.79 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL11273920 0.79 LPAR1 (0.32) ALDH1A1PLA2G2CUSP2KDM4EALOX15
SCHEMBL28357447 0.77 TSHR (0.43) USP2LPAR1LPAR3PRKCATSHR

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