SCHEMBL9767672

SCHEMBL9767672

CC(C)CC(=O)OS(=O)(=O)OC(=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL9767678 0.88 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11311409 0.81 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28052354 0.79 CA2 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18127563 0.78 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18127576 0.76 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL248143 0.73 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5424411 0.73 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11695076 0.70
SCHEMBL1072716 0.70 ALDH1A1 (0.39) ALDH1A1TDP1CA12CA14TSHR
SCHEMBL16996650 0.70 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017420-A Surface coating of copper sulfide; high ductility flexibility and heat resistance HOECHST CELANESE CORP. (US) 1991-05-21 US disclosed
US-4868008-A COPPER SULFIDE HOECHST CELANESE CORP. (US) 1989-09-19 US disclosed
US-4759986-A Associated with covellite copper sulfide HOECHST CELANESE CORPORATION (US) 1988-07-26 US disclosed
US-4634530-A Chemical modification of preformed polybenzimidazole semipermeable membrane CELANESE CORPORATION (US) 1987-01-06 US disclosed