SCHEMBL14790053

SCHEMBL14790053

NCC/C=C(/Cc1cn(-c2cccc(C(F)(F)F)c2)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.39
▸ CPB1 P15086 3/20 0.39
▸ CPB2 Q96IY4 3/20 0.39
▸ NR2E1 Q9Y466 6/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL14789437 0.88 CPB2 (0.44) NOTUMCPB1CPB2NR2E1
SCHEMBL14789403 0.85 CPB2 (0.51) CPB1CPB2USP30
SCHEMBL14790056 0.85 CPB2 (0.40) CPB1CPB2ALKBH5
SCHEMBL14790061 0.83 CPB1 (0.41) CPB1CPB2USP30ALKBH5
SCHEMBL14789425 0.80 CPB2 (0.41) CPB1CPB2
SCHEMBL14789624 0.79 CPB2 (0.56) CPB1CPB2HTT
SCHEMBL14789635 0.79 CPB2 (0.45) CPB1CPB2KMT2AMEN1
SCHEMBL14789459 0.78 MAP4K4 (0.41) NOTUMCPB1CPB2NR2E1KMT2A
SCHEMBL14789411 0.78 CPB2 (0.41) NOTUMCPB1CPB2
SCHEMBL14789410 0.76 CPB2 (0.40) NOTUMCPB1CPB2KMT2AMEN1

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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