SCHEMBL14790054

SCHEMBL14790054

CC(/C=C(/Cc1cn(CCC(C)(C)C)cn1)C(=O)O)CN

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 19/20 0.41
▸ CPB1 P15086 7/20 0.39

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
SCHEMBL14789440 0.82 CPB2 (0.43) CPB2CPB1
SCHEMBL14481389 0.76 CPB2 (0.44) CPB2CPB1
SCHEMBL14551478 0.71 CPB2 (0.39) CPB2CPB1
SCHEMBL14551467 0.69 CPB2 (0.40) CPB2CPB1
SCHEMBL14789432 0.68 CPB2 (0.51) CPB2CPB1
SCHEMBL14789450 0.68 CPB2 (0.51) CPB2CPB1
SCHEMBL14789613 0.65 CPB2 (0.49) CPB2CPB1
SCHEMBL6616681 0.65 LTA4H (0.38) CPB2CPB1
SCHEMBL14790043 0.64 CPB2 (0.38) CPB2CPB1
SCHEMBL13221561 0.64 CPB2 (0.38) CPB2CPB1

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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