SCHEMBL6687729

SCHEMBL6687729

O=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1-c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
MMP1 P03956 6/20 0.44
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
MMP12 P39900 6/20 0.44
MMP13 P45452 6/20 0.44
MMP14 P50281 6/20 0.44
MMP3 P08254 6/20 0.44
MMP8 P22894 5/20 0.44
MMP16 P51512 5/20 0.44
HSD11B1 P28845 1/20 0.43
UQCRB P14927 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4674821 0.85 BCL2L1 (0.50) POLBGAAGFERMMP3UQCRB
SCHEMBL26965857 0.82 L3MBTL1 (0.50) POLBGAACA12CA1CA2
SCHEMBL6899092 0.81 POLB (0.54) POLBGAAGFERMMP1MMP2
SCHEMBL29381324 0.81 GAA (0.61) POLBGAAGFERCA12CA1
SCHEMBL28164 0.81 GAA (0.61) POLBGAAGFERCA12CA1
SCHEMBL27672974 0.80 ALDH1A1 (0.44) POLBGAAGFERMMP9CA12
SCHEMBL11264693 0.78 GAA (0.57) POLBGAAGFERMMP1MMP2
SCHEMBL5490981 0.78 BCL2L1 (0.62) POLBMMP9MMP3CA12CA2
SCHEMBL10864166 0.77 POLB (0.43) POLBGAAGFERMMP1MMP2
SCHEMBL22478853 0.75 POLB (0.49) POLBGAAGFERCA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458791-A1 METHODS FOR THE PREPARATION OF POLY(ETHERIMIDES)S GENERAL ELECTRIC COMPANY (US) 2004-09-22 EP claimed
WO-2003050165-A1 METHODS FOR THE PREPARATION OF POLY(ETHERIMIDES)S GENERAL ELECTRIC COMPANY (US) 2003-06-19 WO claimed