SCHEMBL28028357

SCHEMBL28028357

CCCCCCC(=O)N(CCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALOX5 P09917 5/20 0.51
KDM4A O75164 1/20 0.50
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
PHF8 Q9UPP1 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
EPHX2 P34913 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.47

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
SCHEMBL28028788 0.98 ALOX5 (0.53) THRATHRBALOX5KDM4AKDM5A
SCHEMBL28028786 0.94 ALOX5 (0.54) THRATHRBALOX5CA12CA1
SCHEMBL28147120 0.79 ALOX5 (0.72) THRATHRBALOX5KDM4AKDM5A
SCHEMBL30957397 0.79 KDM5A (0.51) KDM5AKDM4CPHF8EPHX2MEN1
SCHEMBL30957388 0.79 KDM5A (0.51) KDM5AKDM4CPHF8EPHX2MEN1
SCHEMBL30957321 0.79 KDM5A (0.51) KDM5AKDM4CPHF8EPHX2MEN1
SCHEMBL4924149 0.78 LTB4R2 (0.63) ALOX5BCHEACHEEPHX2CA12
SCHEMBL28712083 0.78 LTB4R2 (0.63) ALOX5BCHEACHEEPHX2CA12
SCHEMBL29450616 0.78 LTB4R2 (0.63) ALOX5BCHEACHEEPHX2CA12
SCHEMBL9836351 0.78 THRA (0.48) THRATHRBALOX5KDM4AKDM5A

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
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed