SCHEMBL6703674

SCHEMBL6703674

CCCCCS(=O)(=O)ONCCNCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.45
CA2 P00918 8/20 0.37
CA1 P00915 4/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA3 P07451 1/20 0.37
ALOX15 P16050 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
FAAH O00519 2/20 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
SCHEMBL28358088 0.90 RELA (0.44) RELACA2CA1ALDH1A1CA9
SCHEMBL5122647 0.86 CA2 (0.36) RELACA2CA1LMNAALDH1A1
SCHEMBL11801875 0.82 PPARA (0.41) RELACA2CA1ALDH1A1CA12
SCHEMBL27257137 0.80 FAAH (0.43) RELACA2CA1CA12CA7
SCHEMBL28350531 0.78 RELA (0.31) RELACA2CA1
SCHEMBL28252884 0.78 RELA (0.31) RELACA2CA1
SCHEMBL28591828 0.77 RELA (0.33) RELA
SCHEMBL28325410 0.76 CA1 (0.43) CA2CA1LMNAALDH1A1CA12
SCHEMBL27402075 0.74 FAAH (0.45) RELACA2CA1CA12CA6
SCHEMBL28467430 0.74 CA2 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108159886-A Reverse osmosis membrane scale inhibition preparation 净沃(厦门)环保科技有限公司 2018-06-15 CN claimed
CN-101560022-B Compound corrosion and scale inhibitor XI AN XIELI POWER TECHNOLOGY CO LTD 2011-05-11 CN claimed
CN-101560022-A Compound corrosion and scale inhibitor XI AN XIELI POWER TECHNOLOGY C (CN) 2009-10-21 CN claimed
CN-108159886-A Reverse osmosis membrane scale inhibition preparation 净沃(厦门)环保科技有限公司 2018-06-15 CN disclosed
CN-101560022-B Compound corrosion and scale inhibitor XI AN XIELI POWER TECHNOLOGY CO LTD 2011-05-11 CN disclosed
CN-101560022-A Compound corrosion and scale inhibitor XI AN XIELI POWER TECHNOLOGY C (CN) 2009-10-21 CN disclosed
US-20040116315-A1 Liquid composition for cleaning hydrophobic substrate and cleaning method therewith NEC ELECTRONICS CORPORATION (JP) 2004-06-17 US disclosed