SCHEMBL6289718

SCHEMBL6289718

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
DPP7 Q9UHL4 2/20 0.34
EPHX1 P07099 4/20 0.33
ALOX15 P16050 1/20 0.33
RRM1 P23921 1/20 0.32
ACHE P22303 1/20 0.31
MMP2 P08253 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
NOD1 Q9Y239 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL6284462 0.86 CA1 (0.31) CA1CA2
SCHEMBL6287271 0.85 EPHX1 (0.47) EPHX1ACHEMMP2
SCHEMBL6283796 0.84 EPHX1 (0.40) DPP7EPHX1ACHEMMP2
SCHEMBL6283526 0.84 EPHX1 (0.36) DPP7EPHX1ACHEMMP2
SCHEMBL6286916 0.81 CA1 (0.32) CA1CA2
SCHEMBL6289734 0.81 CA2 (0.38) CA1CA2DPP7EPHX1ALOX15
SCHEMBL6283208 0.78 EPHX1 (0.46) DPP7EPHX1MMP2
SCHEMBL5245068 0.78 CA1 (0.36) CA1CA2ALOX15ACHEMMP9
SCHEMBL6290124 0.74 LMNA (0.48) CA1CA2
SCHEMBL6286485 0.74 EPHX1 (0.40) DPP7EPHX1ALOX15ACHEMMP2

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