SCHEMBL7770538

SCHEMBL7770538

CCCCN(CC)C(C)CC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CA2 P00918 1/20 0.31
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL15579409 0.93 DNM1 (0.39) CA12CA1CA9CA2PLA2G1B
SCHEMBL172366 0.90 MMP1 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL3312355 0.90 MMP1 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL13178779 0.90 MMP1 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL7776790 0.87 FDPS (0.34) CA12CA1CA9MMP1MMP2
Hydrochloric Acid SCHEMBL22575427 0.87 DNM1 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL2184102 0.87 FDPS (0.37)
SCHEMBL29291864 0.85 DNM1 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL28484083 0.83 DNM1 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL9488380 0.83 DNM1 (0.44) CA12CA1CA9CA2PLA2G1B

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
EP-3502119-A2 IMMUNOMODULATING BETA-1,6-D-GLUCANS Immunexcite, Inc. (US) 2019-06-26 EP disclosed
CN-107405617-A Anion exchange membrane, electrochemical element and electrochemical device having the same 日东电工株式会社 2017-11-28 CN disclosed
US-9811011-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-11-07 US disclosed
US-20160378001-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-12-29 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed