SCHEMBL18152284

SCHEMBL18152284

NC(=O)OCCOc1ccc(N)cc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
BCL9 O00512 9/20 0.46
CTNNB1 P35222 9/20 0.46
SYK P43405 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
GRM2 Q14416 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PRKCZ Q05513 1/20 0.36
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAP4K4 O95819 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18152465 0.83 BCL9 (0.51) BCL9CTNNB1SYKFFAR4LTB4R
SCHEMBL20021932 0.79 GAA (0.55) PTGDR2BCL9CTNNB1SYKALOX5AP
SCHEMBL18152329 0.75 BCL9 (0.79) BCL9CTNNB1MAPTPOLB
SCHEMBL18152391 0.75 MGLL (0.58) BCL9CTNNB1ALDH1A1MAPTNPC1
Trifluoroacetic Acid SCHEMBL18152377 0.75 PTGDR2 (0.48) PTGDR2BCL9CTNNB1SYKFFAR4
SCHEMBL20025817 0.74 PTGDR2 (0.47) PTGDR2BCL9CTNNB1SYKALOX5AP
SCHEMBL18165099 0.74 CA12 (0.45) PTGDR2BCL9CTNNB1GRM2ALOX5AP
SCHEMBL28109355 0.73 ALDH1A1 (0.48) PTGDR2ALDH1A1MAPT
SCHEMBL21595671 0.73 MRGPRX4 (0.48) FFAR4ALDH1A1
SCHEMBL16741757 0.72 IKBKB (0.51) GRM2MAP4K4

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-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 WO disclosed