SCHEMBL6286804

SCHEMBL6286804

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA1 P00915 4/20 0.42
DPP7 Q9UHL4 3/20 0.37
MAPK1 P28482 1/20 0.35
SLC15A1 P46059 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
BCAT2 O15382 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31

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 0.83 CA2 (0.39) CA2CA1DPP7MAPK1SLC15A1
SCHEMBL6286832 0.82 EPHX1 (0.36) CA2CA1DPP7MAPK1TSHR
SCHEMBL6287564 0.82 EPHX1 (0.39) CA2CA1DPP7MAPK1
SCHEMBL6284624 0.81 EPHX1 (0.49) DPP7MMP9MMP8MMP14USP2
SCHEMBL6286822 0.81 CA2 (0.40) CA2CA1DPP7MAPK1SLC15A1
SCHEMBL6289734 0.78 CA2 (0.38) CA2CA1DPP7MAPK1SLC15A1
SCHEMBL14125822 0.78 ALDH1A1 (0.44) CA2CA1MAPK1TSHRALDH1A1
SCHEMBL6290124 0.77 LMNA (0.48) CA2CA1BCAT2
SCHEMBL14125514 0.75 ALDH1A1 (0.42) CA2CA1MAPK1TSHRALDH1A1
SCHEMBL6681722 0.75 TSHR (0.55) CA2CA1MAPK1TSHRALDH1A1

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