SCHEMBL14789450

SCHEMBL14789450

CCCn1cnc(C/C(=C\CCN)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 13/20 0.51
▸ CPB1 P15086 6/20 0.51
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ 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

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
SCHEMBL14789432 1.00 CPB2 (0.51) CPB2CPB1KDM5AKDM5BGRIK1
SCHEMBL14789440 0.87 CPB2 (0.43) CPB2CPB1
SCHEMBL14789631 0.83 GRIK1 (0.41) CPB2CPB1KDM5AKDM5BGRIK1
SCHEMBL14789613 0.83 CPB2 (0.49) CPB2CPB1
SCHEMBL14789620 0.81 CPB2 (0.57) CPB2CPB1
SCHEMBL14789619 0.81 KDM4C (0.41) CPB2KDM5AKDM5BGRIK1
SCHEMBL14789632 0.78 CPB2 (0.50) CPB2CPB1
SCHEMBL27803087 0.76 CPB2 (0.53) CPB2CPB1KDM5AKDM5BGRIN2D
SCHEMBL14789410 0.75 CPB2 (0.40) CPB2CPB1
SCHEMBL3012492 0.75 CPB2 (0.52) CPB2CPB1KDM5AKDM5BGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013039202-A1 NOVEL ACRYLIC ACID DERIVATIVE 第一三共株式会社 (JP) 2013-03-21 — — WO disclosed
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