SCHEMBL18152328

SCHEMBL18152328

COC(=O)c1ccc(OCCNC(=O)OC(C)(C)C)c(-c2ccc(Cl)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 5/20 0.45
CTNNB1 P35222 5/20 0.45
SCN9A Q15858 1/20 0.40
PDK2 Q15119 1/20 0.38
IDO1 P14902 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL18152574 0.91 BCL9 (0.46) BCL9CTNNB1SCN9APDK2IDO1
SCHEMBL18152455 0.91 BCL9 (0.48) BCL9CTNNB1SCN9APDK2CA12
SCHEMBL18152400 0.87 BCL9 (0.46) BCL9CTNNB1SCN9APDK2CA12
SCHEMBL16709793 0.83 RAB9A (0.47) SCN9APDK2IDO1CA12CA1
SCHEMBL18152551 0.82 BCL9 (0.48) BCL9CTNNB1SCN9APDK2CA12
SCHEMBL16593033 0.81 SUV39H2 (0.44) IDO1CA12CA1CA2CA9
SCHEMBL31500921 0.81 TTR (0.50) SCN9APDK2IDO1CA12CA1
SCHEMBL18152291 0.78 BCL9 (0.47) BCL9CTNNB1SCN9APDK2CA12
SCHEMBL18165177 0.77 BCL9 (0.48) BCL9CTNNB1SCN9APDK2CA12
SCHEMBL18165162 0.77 MGLL (0.53) SCN9APDK2IDO1CA12CA1

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