SCHEMBL18152574

SCHEMBL18152574

CC(C)(C)OC(=O)NCCOc1ccc(C(=O)O)cc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 3/20 0.46
CTNNB1 P35222 3/20 0.46
PPARD Q03181 3/20 0.42
PPARA Q07869 1/20 0.41
RARG P13631 8/20 0.41
RARA P10276 7/20 0.41
RARB P10826 7/20 0.41
SCN9A Q15858 1/20 0.41
PDK2 Q15119 1/20 0.39
IDO1 P14902 1/20 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
SCHEMBL18152328 0.91 BCL9 (0.45) BCL9CTNNB1SCN9APDK2IDO1
SCHEMBL18152551 0.91 BCL9 (0.48) BCL9CTNNB1PPARDPPARARARG
SCHEMBL18152291 0.87 BCL9 (0.47) BCL9CTNNB1RARGRARARARB
SCHEMBL18152455 0.82 BCL9 (0.48) BCL9CTNNB1SCN9APDK2
SCHEMBL28624037 0.82 SMN1; SMN2 (0.47) IDO1
SCHEMBL926919 0.82 RAB9A (0.49) SCN9APDK2IDO1
SCHEMBL18690622 0.81 RXRA (0.46) RARGRARARARBIDO1
SCHEMBL18152403 0.78 PDK2 (0.42) PPARDPPARASCN9APDK2
SCHEMBL18152400 0.78 BCL9 (0.46) BCL9CTNNB1SCN9APDK2
SCHEMBL18165177 0.78 BCL9 (0.48) BCL9CTNNB1SCN9APDK2

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