SCHEMBL18152346

SCHEMBL18152346

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(NC(=O)OCc3ccccc3)cc2Br)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
PDE4B Q07343 4/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
TGM2 P21980 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PIK3CD O00329 2/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
YAP1 P46937 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL31663791 0.83 PTPN2 (0.55) PDE4BGPR119PARP1PARP2PIK3CD
SCHEMBL18165189 0.82 PDE4B (0.46) USP30PDE4BJAK2JAK1GPR119
SCHEMBL6192978 0.80 GPR119 (0.51) GPR119TGM2STSNPC1ALDH1A1
Acetic Acid SCHEMBL6190067 0.79 GPR119 (0.49) GPR119TGM2STSNPC1ALDH1A1
SCHEMBL29619078 0.78 NPC1 (0.52) USP30PDE4BPIK3CDNPC1RAB9A
SCHEMBL1927899 0.77 USP30 (0.52) USP30PDE4BJAK2JAK1GPR119
SCHEMBL4615967 0.77 NAMPT (0.48) GPR119STSNPC1ALDH1A1RAB9A
SCHEMBL27092645 0.77 MGLL (0.48) PDE4BTGM2NPC1ALDH1A1TP53
SCHEMBL19404343 0.77 TOP2A (0.51) USP30PDE4BGPR119PIK3CDALDH1A1
SCHEMBL18165187 0.77 TOP2A (0.51) USP30PDE4BGPR119PIK3CDALDH1A1

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