SCHEMBL18152391

SCHEMBL18152391

NC(=O)OCCOc1ccc(NC(=O)OCc2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.58
C5AR1 P21730 6/20 0.52
BCL9 O00512 4/20 0.51
CTNNB1 P35222 4/20 0.51
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
PTPN1 P18031 1/20 0.46
ENPP2 Q13822 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL20021931 0.88 MGLL (0.60) MGLLC5AR1BCL9CTNNB1TP53
SCHEMBL18165102 0.82 MGLL (0.52) MGLLC5AR1BCL9CTNNB1MAPT
SCHEMBL20025818 0.79 BCL9 (0.48) MGLLC5AR1BCL9CTNNB1ALDH1A1
SCHEMBL9126984 0.77 MGLL (0.57) MGLLC5AR1TP53MAPTPTPN1
SCHEMBL27815058 0.75 MGLL (0.71) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL18152284 0.75 PTGDR2 (0.49) BCL9CTNNB1MAPTNPC1ALDH1A1
SCHEMBL18152329 0.74 BCL9 (0.79) MGLLBCL9CTNNB1MAPTSMN1; SMN2
SCHEMBL18152413 0.74 CTNNB1 (0.77) BCL9CTNNB1
SCHEMBL21062557 0.73 MGLL (0.52) MGLLBCL9CTNNB1TP53MAPT
SCHEMBL21062556 0.73 MGLL (0.52) MGLLBCL9CTNNB1TP53MAPT

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