SCHEMBL28035679

SCHEMBL28035679

Cc1c(C2CCCCC2)cccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
HTR6 P50406 7/20 0.41
HTR2C P28335 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.36
MYC P01106 1/20 0.36

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
SCHEMBL4159762 0.84 PTGES2 (0.44) PTGS2HTR6HTR2C
SCHEMBL4279326 0.83 PTGS2 (0.46) PTGS2PTGDR2LMNAMYC
SCHEMBL10408635 0.82 PTGS2 (0.40) PTGS2PTGDR2MYC
SCHEMBL27952944 0.81 PTGS2 (0.45) PTGS2PTGDR2LMNAMYC
Water SCHEMBL30194738 0.81 PTGS2 (0.39) PTGS2PTGDR2MYC
SCHEMBL28062056 0.81 TTR (0.41) PTGS2PTGDR2
SCHEMBL23664866 0.80 PTGS2 (0.44) PTGS2HTR6HTR2CLMNA
SCHEMBL8589905 0.79 TTR (0.42) PTGS2PTGDR2
SCHEMBL27828565 0.79 PTGS2 (0.36) PTGS2PTGDR2
SCHEMBL31240954 0.78 HTR2C (0.52) PTGS2HTR6HTR2CPTGDR2

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-105012306-A SAA derivative compounds in hypoxic state are capable of reducing eNOS and inhibiting oxidative stress induced diseases JIANZHI BIOLOG TECHNOLOGY CO LTD 2015-11-04 CN disclosed