SCHEMBL2356017

SCHEMBL2356017

COc1ccc(S(=O)(=O)c2ccc(-c3cc(F)ccc3O[C@@H](C)C(=O)OC(C)(C)C)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
MMP2 P08253 4/20 0.38
MMP3 P08254 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP12 P39900 4/20 0.38
MMP13 P45452 4/20 0.38
MMP14 P50281 4/20 0.38
MMP16 P51512 4/20 0.38
ABCB11 O95342 1/20 0.38
POLB P06746 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
STAT3 P40763 1/20 0.35
MMP1 P03956 2/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL14432862 1.00 CNR1 (0.40) CNR1MMP2MMP3MMP9MMP8
SCHEMBL1995866 0.89 ABCB11 (0.46) CNR1MMP2MMP3MMP9MMP8
SCHEMBL2356020 0.81 MMP2 (0.40) CNR1MMP2MMP3MMP9MMP8
SCHEMBL14432860 0.81 CTSA (0.43) CNR1MMP2MMP3MMP9MMP8
SCHEMBL1991394 0.79 ABCB11 (0.38) MMP2MMP3MMP9MMP13ABCB11
SCHEMBL14432859 0.79 FFAR4 (0.40) CNR1MMP2MMP3MMP9MMP8
SCHEMBL1992062 0.79 ABCB11 (0.49) MMP2MMP3MMP9MMP8MMP12
SCHEMBL2356023 0.79 MMP2 (0.39) CNR1MMP2MMP3MMP9MMP8
SCHEMBL14432857 0.79 MMP2 (0.39) CNR1MMP2MMP3MMP9MMP8
SCHEMBL1988973 0.77 PTGDR2 (0.41) ABCB11PTGDR2PTGS2

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-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed