SCHEMBL6285654

SCHEMBL6285654

CCCCC(CC)C(NCC)C(CC)CNC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
CA1 P00915 4/20 0.39
DPP7 Q9UHL4 2/20 0.34
MAPK1 P28482 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
SLC15A1 P46059 1/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL6289734 0.90 CA2 (0.38) CA2CA1DPP7MAPK1DPP4
SCHEMBL6286822 0.86 CA2 (0.40) CA2CA1DPP7MAPK1DPP4
SCHEMBL6283830 0.85 EPHX1 (0.37) CA2CA1DPP7MAPK1
SCHEMBL6287183 0.84 EPHX1 (0.33) CA2CA1DPP7MAPK1
SCHEMBL6286804 0.83 CA2 (0.42) CA2CA1DPP7MAPK1DPP4
SCHEMBL6287715 0.82 EPHX1 (0.45) DPP7MMP9MMP8MMP14
SCHEMBL5244845 0.78 CA2 (0.39) CA2CA1DPP7MAPK1DPP4
SCHEMBL6286859 0.77 EPHX1 (0.39) CA2CA1DPP7MAPK1MMP9
SCHEMBL6284462 0.76 CA1 (0.31) CA2CA1
SCHEMBL6287256 0.75 EPHX1 (0.46) DPP7MMP9MMP8MMP14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed