SCHEMBL700982

SCHEMBL700982

NCCCCOS(=O)(=O)OCCCCN

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.50
CA2 P00918 18/20 0.50
CA9 Q16790 15/20 0.50
CA12 O43570 5/20 0.48
CA7 P43166 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA3 P07451 4/20 0.48
CA4 P22748 4/20 0.48
CA6 P23280 4/20 0.48
CA5A P35218 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.39

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
SCHEMBL8506764 0.92 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL6014444 0.80 CA1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL700466 0.79 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL10782790 0.79 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL27957429 0.79 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL25120968 0.77 TSHR (0.71) CA1CA2CA9CA12CA7
SCHEMBL15709128 0.77 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL11663822 0.77 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL4215519 0.77 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL18012765 0.77 TSHR (0.71) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908582-B1 GAS BARRIER LAMINATE FOR USE IN HOT WATER TREATMENT MITSUBISHI CHEM CORP (JP) 2018-06-13 EP disclosed
US-8124236-B2 Gas-barrier laminate for hydrothermal treatment MITSUBISHI PLASTICS, INC. (JP) 2012-02-28 US disclosed
EP-1942132-B1 LAMINATE FILM TORAY INDUSTRIES (JP) 2011-09-07 EP disclosed
US-7972700-B2 Laminated film TORAY INDUSTRIES, INC. (JP) 2011-07-05 US disclosed
US-20100239868-A1 Laminated Film TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) 2010-09-23 US disclosed
US-20100035050-A1 GAS-BARRIER LAMINATE FOR HYDROTHERMAL TREATMENT MITSUBISHI PLASTICS, INC. (JP) 2010-02-11 US disclosed
EP-1942132-A1 LAMINATE FILM TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP disclosed
EP-1908582-A1 GAS BARRIER LAMINATE FOR USE IN HOT WATER TREATMENT MITSUBISHI PLASTICS INC. (JP) 2008-04-09 EP disclosed