SCHEMBL6449068

SCHEMBL6449068

CCCC/C=C(\C(=O)O)N(CCCC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
GRIK1 P39086 1/20 0.41
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL2127064 0.92 CA12 (0.44) EP300CA12CA1CA9MMP1
SCHEMBL8604922 0.92 EP300 (0.46) EP300CA12CA1CA9MMP1
SCHEMBL6157470 0.86 CA12 (0.45) EP300CA12CA1CA9MMP1
SCHEMBL1023434 0.86 EP300 (0.47) EP300CA12CA1CA9MMP2
SCHEMBL8415797 0.85 EP300 (0.47) EP300CA12CA1CA9MMP2
SCHEMBL5691846 0.85 EP300 (0.47) EP300CA12CA1CA9MMP2
SCHEMBL4977299 0.83 CA12 (0.42) EP300CA12CA1CA9MMP1
SCHEMBL906434 0.80 EP300 (0.48) EP300MMP2GRIK1F7F3
SCHEMBL8604924 0.80 CA12 (0.40) EP300CA12CA1CA9GRIK1
SCHEMBL8849789 0.79 EP300 (0.58) EP300MMP2F7F3

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
US-20020120086-A1 Quaternary polymers with functional amine groups field of the invention BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 US disclosed