SCHEMBL27907686

SCHEMBL27907686

CC(C)S(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
ATR Q13535 1/20 0.46
PTGS2 P35354 1/20 0.46
CASP1 P29466 2/20 0.44
EDNRB P24530 4/20 0.42
EDNRA P25101 4/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
AKR1B1 P15121 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39

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
SCHEMBL2445593 0.94 PTGS2 (0.48) ALOX5APFEN1ATRPTGS2CASP1
SCHEMBL28172581 0.80 ALOX5AP (0.48) ALOX5APFEN1ATRPTGS2EDNRA
SCHEMBL28130041 0.79 ALOX5AP (0.50) ALOX5APFEN1ATR
SCHEMBL2642960 0.79 PTGS2 (0.47) PTGS2CASP1EDNRBEDNRACDC25B
SCHEMBL6904423 0.77 OPRM1 (0.58) ALOX5APFEN1PTGS2CASP1EDNRB
SCHEMBL29415408 0.77 PTGS2 (0.61) PTGS2CASP1EDNRBEDNRAAKR1B1
SCHEMBL937206 0.77 PTGS2 (0.61) PTGS2CASP1EDNRBEDNRAAKR1B1
SCHEMBL31463127 0.76 AKR1B1 (0.56) PTGS2CASP1EDNRBEDNRACDC25A
SCHEMBL28157438 0.76 EDNRA (0.47) ALOX5APFEN1ATREDNRBEDNRA
SCHEMBL2705116 0.76 ALOX5AP (0.50) ALOX5APFEN1PTGS2CASP1EDNRB

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-103179976-A Glucagon superfamily peptides exhibiting g protein-coupled receptor activity MARCADIA BIOTECH INC 2013-06-26 CN disclosed