SCHEMBL19201779

SCHEMBL19201779

CCCC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.65
▸ CTNNB1 P35222 1/20 0.65
▸ MGLL Q99685 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ PTPN7 P35236 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ ELANE P08246 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 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
SCHEMBL19201788 0.85 BCL9 (0.63) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL14453837 0.84 BCL9 (0.65) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL5466190 0.82 BCL9 (0.56) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL6564402 0.81 BCL9 (0.61) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL25042615 0.80 BCL9 (0.60) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL14962749 0.80 BCL9 (0.60) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL133257 0.79 BCL9 (1.00) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL6237740 0.79 ELANE (0.46) SMN1; SMN2ALDH1A1ELANE
SCHEMBL2294100 0.79 BCL9 (0.76) BCL9CTNNB1MGLLMAPTKMT2A
SCHEMBL27713294 0.78 BCL9 (0.70) BCL9CTNNB1MGLLMAPTKMT2A

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-2017129818-A1 LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2017-08-03 — — WO disclosed
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