SCHEMBL13818319

SCHEMBL13818319

CCC(C)(CC)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(OC(C)C)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ PTGDR Q13258 1/20 0.35
▸ POLB P06746 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACACB O00763 1/20 0.33

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
SCHEMBL21715645 0.86 MMP14 (0.38) MMP3MMP14MMP2MMP9PTGDR
SCHEMBL13181470 0.84 POLB (0.34) POLBKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL14557902 0.82 POLB (0.32) POLBKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL14545945 0.81 HSD11B1 (0.34) MMP2MMP9POLBKDM4EL3MBTL1
SCHEMBL13181464 0.81 MAPT (0.34) MMP3MMP14MMP2MMP9PTGDR
SCHEMBL13181479 0.81 CASP1 (0.35) POLBKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL13818318 0.80 HSD11B1 (0.35) POLBKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL14557994 0.79 ELANE (0.38) POLBL3MBTL1ALDH1A1MAPTPKM
SCHEMBL10296813 0.79 HSD11B1 (0.34) MMP2MMP9POLBKDM4EL3MBTL1
SCHEMBL13181467 0.79 CASP1 (0.33) PTGDRPOLBKDM4EL3MBTL1ALDH1A1

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-1669391-B1 BLOCK COPOLYMERS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2009-06-03 — — EP disclosed
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