SCHEMBL18152365

SCHEMBL18152365

COC(=O)c1ccc(OCCOCc2ccccc2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
BCL9 O00512 7/20 0.48
CTNNB1 P35222 7/20 0.48
PTGER1 P34995 3/20 0.44
PTPN7 P35236 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL18152331 0.91 BCL9 (0.49) SYKBCL9CTNNB1PTGER1LMNA
SCHEMBL20025819 0.83 SLC6A4 (0.45) SYKPTPN7LMNAHPGDSLC6A4
SCHEMBL18165180 0.83 RARB (0.53) SYKBCL9CTNNB1PTPN7HPGD
SCHEMBL20021919 0.82 BCL9 (0.54) SYKBCL9CTNNB1PTPN7SLC6A4
SCHEMBL3629085 0.81 RAB9A (0.51) SYKPTGER1LMNAHPGDTDP1
SCHEMBL16055873 0.81 CYP11B1 (0.55) PTGER1PTPN7LMNAHPGDSLC6A4
SCHEMBL3631211 0.81 LMNA (0.56) SYKPTGER1LMNAHPGDPTGS2
SCHEMBL18152413 0.81 CTNNB1 (0.77) BCL9CTNNB1
SCHEMBL18152277 0.80 LMNA (0.51) LMNAHPGDTDP1L3MBTL1MAPT
SCHEMBL20025844 0.79 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