SCHEMBL18152298

SCHEMBL18152298

O=C(NCCCC(=O)N1CCN(C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
TPSAB1 Q15661 2/20 0.56
TPSD1 Q9BZJ3 2/20 0.56
TPSG1 Q9NRR2 2/20 0.56
GAA P10253 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
PREP P48147 2/20 0.54
DPP8 Q6V1X1 2/20 0.54
DPP7 Q9UHL4 2/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TGM2 P21980 2/20 0.52
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
DPP4 P27487 1/20 0.50
DPP9 Q86TI2 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL14295143 0.91 HTT (0.67) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL11266194 0.91 HTT (0.63) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL7685914 0.88 GAA (0.67) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL11266633 0.88 GAA (0.67) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL18165184 0.85 SIGMAR1 (0.64) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL17294006 0.85 SIGMAR1 (0.64) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL27795955 0.84 PREP (0.56) HTTGAASIGMAR1PREPLMNA
SCHEMBL14711499 0.84 HTT (0.57) HTTTPSAB1TPSD1TPSG1GAA
SCHEMBL31697361 0.82 LMNA (0.56) HTTGAASIGMAR1DPP8DPP7
SCHEMBL17294010 0.81 SIGMAR1 (0.59) HTTSIGMAR1PREPDPP8DPP7

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