SCHEMBL6287064

SCHEMBL6287064

CCCCNCC(CC)(CNCCCC)CNC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.34
ACHE P22303 4/20 0.34
PAOX Q6QHF9 1/20 0.34
MMP2 P08253 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 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
SCHEMBL6290208 0.93 EPHX1 (0.38) EPHX1ALOX15TSHRACHEPAOX
SCHEMBL6287138 0.83 EPHX1 (0.53) EPHX1ACHEPAOXMMP2GAA
SCHEMBL6286463 0.82 MCL1 (0.32)
SCHEMBL6286898 0.81 EPHX1 (0.43) EPHX1TSHRACHEPAOXMMP2
SCHEMBL6286748 0.81 EPHX1 (0.39) EPHX1TSHRACHEPAOXMMP2
SCHEMBL6284226 0.81 EPHX1 (0.37) EPHX1ALOX15TSHRACHEPAOX
SCHEMBL6285523 0.81 EPHX1 (0.37) EPHX1ALOX15TSHRACHEPAOX
SCHEMBL6287769 0.77 LMNA (0.42) ALOX15TSHRACHEPOLBSMN1; SMN2
SCHEMBL6290216 0.76 TDP1 (0.30)
SCHEMBL6289560 0.75 EPHX1 (0.57) EPHX1ACHEPAOXMMP2GAA

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