SCHEMBL6855436

SCHEMBL6855436

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
GAA P10253 1/20 0.51
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL3101316 0.88 BCL9 (0.56) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL14495188 0.82 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL20931042 0.82 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL1533872 0.82 BCL9 (0.52) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL4941164 0.81 ELANE (0.61) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL15908462 0.80 BCL9 (0.56) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL3310085 0.80 GAA (0.58) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL21853704 0.78 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL27301103 0.78 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL1972122 0.78 BCL9 (0.51) BCL9CTNNB1GAAMGLLALDH1A1

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-2011002249-A2 IN SITU FORMING HYDROGEL AND BIOMEDICAL USE THEREOF AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2011-01-06 WO disclosed