SCHEMBL8919967

SCHEMBL8919967

CCCCC(O)CCCC(N)n1c(=O)ccn(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PTGER2 P43116 2/20 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
SCHEMBL8374665 0.67 PTGER4 (0.44) PTGER4PTGER1PTGER3
SCHEMBL7606458 0.67 PTGER1 (0.39) PTGER4PTGER1PTGER3
SCHEMBL8771905 0.66 ALDH1A1 (0.30)
SCHEMBL8015572 0.66 PTGER1 (0.40) PTGER4PTGER1PTGER3
SCHEMBL21846831 0.64 CRBN (0.34)
SCHEMBL5027006 0.63 FFAR4 (0.50) CA2
Methylhydrazine SCHEMBL10992520 0.62 HSP90AA1 (0.40)
SCHEMBL8061413 0.62 PTGER1 (0.37) PTGER4PTGER1PTGER3
SCHEMBL21911678 0.61 ALDH1A1 (0.39)
SCHEMBL28063205 0.61 FFAR4 (0.52) CA2

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
US-5670507-A Method for reversing multiple drug resistant phenotype CELL THERAPEUTICS, INC. (US) 1997-09-23 US disclosed