SCHEMBL6437162

SCHEMBL6437162

NC1CCCCC1NS(=O)(=O)C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
CA9 Q16790 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL5180894 0.81 CA1 (0.37) CA1CA2CA12MMP2MMP9
SCHEMBL5180239 0.81 CA1 (0.37) CA1CA2CA12MMP2MMP9
SCHEMBL5180906 0.81 CA1 (0.37) CA1CA2CA12MMP2MMP9
SCHEMBL810240 0.81 CA1 (0.37) CA1CA2CA12MMP2MMP9
SCHEMBL5180231 0.81 CA1 (0.37) CA1CA2CA12MMP2MMP9
SCHEMBL2526371 0.77 HCRTR2 (0.34) CA1CA2CA12MMP2MMP9
Benzene SCHEMBL5180623 0.75 MMP2 (0.33) CA1CA2CA12MMP2MMP9
Benzene SCHEMBL5180762 0.75 MMP2 (0.33) CA1CA2CA12MMP2MMP9
SCHEMBL7527601 0.74 CA2 (0.42) CA1CA2CA12MMP2MMP9
SCHEMBL809996 0.74 CA1 (0.40) CA1CA2CA12MMP2MMP9

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
EP-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 EP disclosed
US-6323174-B1 PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 US disclosed
US-6239324-B1 REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-29 US disclosed
EP-0982286-A2 Diene compounds and process for preparing the same Takasago International Corporation (JP) 2000-03-01 EP disclosed