SCHEMBL18152302

SCHEMBL18152302

NC(=O)Oc1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 2/20 0.42
C5AR1 P21730 3/20 0.40
PTGER1 P34995 1/20 0.40
BCL9 O00512 6/20 0.40
CTNNB1 P35222 6/20 0.40
SYK P43405 1/20 0.40
GSTP1 P09211 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20025817 0.81 PTGDR2 (0.47) C5AR1PTGER1BCL9CTNNB1SYK
Trifluoroacetic Acid SCHEMBL18152377 0.80 PTGDR2 (0.48) FFAR4FFAR1PTGER1BCL9CTNNB1
SCHEMBL18152365 0.79 SYK (0.49) PTGER1BCL9CTNNB1SYK
SCHEMBL18076083 0.79 GRM2 (0.57) CYP11B1CYP11B2
SCHEMBL20025818 0.74 BCL9 (0.48) C5AR1BCL9CTNNB1SYKCYP11B1
SCHEMBL18152391 0.73 MGLL (0.58) C5AR1BCL9CTNNB1ALDH1A1
SCHEMBL18152413 0.73 CTNNB1 (0.77) BCL9CTNNB1
SCHEMBL18152321 0.73 PTGER1 (0.58) PTGER1BCL9CTNNB1
SCHEMBL18076202 0.72 SQOR (0.42) CYP11B1CYP11B2
SCHEMBL20025844 0.71 CTNNB1 (0.81) BCL9CTNNB1

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