SCHEMBL27633725

SCHEMBL27633725

CCCCC(=C(C)C(N)=O)C(C)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.38
SLC15A1 P46059 1/20 0.37
DDAH1 O94760 1/20 0.36
TP53 P04637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
FAAH O00519 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL28271941 0.86 CES1 (0.40) CES1CES2DDAH1TP53ALDH1A1
SCHEMBL1904064 0.85 FNTA (0.44) CES1CES2SLC15A1DDAH1TP53
SCHEMBL27505015 0.83 DDAH1 (0.38) CES1CES2SLC15A1DDAH1TP53
SCHEMBL28205142 0.79 CES1 (0.38) CES1CES2TP53ALDH1A1CA1
SCHEMBL6544625 0.78 FNTA (0.55) CES1CES2ALDH1A1MEN1KMT2A
SCHEMBL5053964 0.78 ALDH1A1 (0.44) CES1SLC15A1ALDH1A1LMNACYP1A2
SCHEMBL7144116 0.76
SCHEMBL28656598 0.74 LMNA (0.42) CES1CES2ALDH1A1FAAHMEN1
SCHEMBL28904943 0.74 LMNA (0.42) CES1CES2ALDH1A1FAAHMEN1
SCHEMBL2469796 0.73 CES1 (0.46) CES1CES2TP53ALDH1A1CA1

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