SCHEMBL6448028

SCHEMBL6448028

CCNC(=O)/C(C)=C(/C)NCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 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
SCHEMBL13130711 0.81 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2047657 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL17499008 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6518333 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8055747 0.79 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL9069848 0.77 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL28064855 0.77 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL127474 0.77 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3060269 0.76 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16626 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509568-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS Lanxess Deutschland GmbH (DE) 2005-03-02 EP disclosed
WO-2003099921-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 WO disclosed
WO-2002020632-A1 QUATERNARY POLYMERS WITH FUNCTIONAL AMINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed