SCHEMBL6289734

SCHEMBL6289734

CCCCNC(C(CC)CCCC)C(CC)CNC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
DPP7 Q9UHL4 3/20 0.36
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
EPHX1 P07099 4/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
RRM1 P23921 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
SLC15A1 P46059 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
SCHEMBL6285654 0.90 CA2 (0.39) CA2CA1DPP7MMP9MMP8
SCHEMBL6287256 0.85 EPHX1 (0.46) DPP7MMP9MMP8MMP14EPHX1
SCHEMBL6286822 0.85 CA2 (0.40) CA2CA1DPP7MMP9MMP8
SCHEMBL6289689 0.84 EPHX1 (0.36) CA2CA1DPP7MMP9MMP8
SCHEMBL6286859 0.84 EPHX1 (0.39) CA2CA1DPP7MMP9MMP8
SCHEMBL6289718 0.81 CA1 (0.35) CA2CA1DPP7MMP9MMP8
SCHEMBL6286804 0.78 CA2 (0.42) CA2CA1DPP7MMP9MMP8
SCHEMBL6287229 0.78 CA2 (0.38) CA2CA1DPP7MMP9MMP8
SCHEMBL6287715 0.78 EPHX1 (0.45) DPP7MMP9MMP8MMP14EPHX1
SCHEMBL6283830 0.75 EPHX1 (0.37) CA2CA1DPP7EPHX1MAPK1

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