SCHEMBL2802405

SCHEMBL2802405

CCCCOC(COCC)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.44
LPAR3 Q9UBY5 4/20 0.44
TLR2 O60603 5/20 0.41
LPAR2 Q9HBW0 1/20 0.41
CYP1A2 P05177 3/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
GPR84 Q9NQS5 3/20 0.38

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
SCHEMBL8090207 0.93 LPAR1 (0.50) LPAR1LPAR3TLR2LPAR2CYP1A2
SCHEMBL6914851 0.89 LPAR1 (0.47) LPAR1LPAR3TLR2LPAR2TSHR
SCHEMBL11494461 0.87 LPAR1 (0.41) LPAR1LPAR3TLR2LPAR2CYP1A2
SCHEMBL30826314 0.86 LPAR1 (0.59) LPAR1LPAR3TLR2LPAR2
SCHEMBL10707922 0.85 CYP1A2 (0.37) CYP1A2MAPK1MEN1GMNNLMNA
SCHEMBL8631854 0.84 TSHR (0.39) LPAR1LPAR3TLR2LPAR2CYP1A2
SCHEMBL2223328 0.83 CYP1A2 (0.42) CYP1A2MAPK1MEN1GMNNLMNA
SCHEMBL28380343 0.81 ALDH1A1 (0.45) CYP1A2MAPK1MEN1GMNNLMNA
SCHEMBL538789 0.81 GPR84 (0.44) TLR2CYP1A2MAPK1MEN1GMNN
SCHEMBL14815623 0.81 GPR84 (0.44) CYP1A2MAPK1MEN1GMNNLMNA

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