SCHEMBL27633723

SCHEMBL27633723

C=C(C)C(=O)N(CCN)CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
TSHR P16473 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CA2 P00918 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL27505014 0.93 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL12796708 0.90 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL154749 0.90 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL376174 0.86 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL376061 0.86 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL20287877 0.85 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL375983 0.85 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL432460 0.85 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL376053 0.85 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL3468715 0.85 CA12 (0.45) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668802-B Methods for producing rubber mixtures LANXESS DEUTSCHLAND GMBH 2014-06-18 CN disclosed
CN-1869116-B Microgel-containing vulcanisable composition RHEIN CHEMIE RHEINAU GMBH 2013-09-04 CN disclosed
CN-101668802-A Methods for producing rubber mixtures LANXESS DEUTSCHLAND GMBH 2010-03-10 CN disclosed
CN-100528939-C Microgels in non-crosslinkable organic media RHEIN CHEMIE RHEINAU GMBH BAYE (DE) 2009-08-19 CN disclosed
CN-101003648-A Microgel-containing vulcanizable composition based on hydrogenated nitrile rubber LANXESS DEUTSCHLAND GMBH (DE) 2007-07-25 CN disclosed
CN-1869116-A Microgel-containing vulcanisable composition RHEIN CHEMIE RHEINAU GMBH (DE) 2006-11-29 CN disclosed
CN-1860158-A Thermoplastic elastomer composition containing microgels RHEIN CHEMIE RHEINAU GMBH (DE) 2006-11-08 CN disclosed
CN-1856528-A Microgels in cross-linkable, organic media RHEIN CHEMIE RHEINAU GMBH (DE) 2006-11-01 CN disclosed
CN-1856527-A Microgels in non-crosslinkable organic media RHEIN CHEMIE RHEINAU GMBH (DE) 2006-11-01 CN disclosed
CN-1840622-A Use of crosslinked microgel for improving temperature dependence property of non-crosslinked organic medium RHEIN CHEMIE RHEINAU GMBH (DE) 2006-10-04 CN disclosed
CN-1840583-A Fine particle gel bond with functional additive RHEIN CHEMIE RHEINAU GMBH (DE) 2006-10-04 CN disclosed