SCHEMBL9849488

SCHEMBL9849488

Cc1cc(C)c(OS(=O)(=O)Cl)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAPGEF4 Q8WZA2 5/20 0.36
ALDH1A1 P00352 1/20 0.36
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1074347 0.79 CSNK2A2 (0.42) FFAR4CA1CA2MMP1MMP2
SCHEMBL14015374 0.77 CA1 (0.42) FFAR4CA1CA2MMP1MMP2
SCHEMBL16140138 0.77 RAPGEF4 (0.41) FFAR4CA1CA2MMP1MMP2
SCHEMBL4876000 0.77 CA2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL23653719 0.75 CA1 (0.50) FFAR4CA1CA2MEN1KMT2A
SCHEMBL11160716 0.72 CA1 (0.48) FFAR4CA1CA2MEN1KMT2A
SCHEMBL5561363 0.72 FFAR4 (0.37) FFAR4CA1CA2MMP1MMP2
SCHEMBL532886 0.71 TRPV4 (0.41) FFAR4GABRG2GABRB3GABRA3MEN1
Iodide SCHEMBL20377402 0.71 FFAR4 (0.36) FFAR4CA1CA2MMP1MMP2
SCHEMBL28584784 0.71 RAPGEF4 (0.53) FFAR4CA1CA2MEN1KMT2A

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
EP-0439036-A2 Energy transferring system F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP disclosed