SCHEMBL903436

SCHEMBL903436

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
GAA P10253 1/20 0.51
HTR2A P28223 1/20 0.49
MGLL Q99685 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL763093 0.90 BCL9 (0.54) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL6359040 0.88 BCL9 (0.56) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL31488048 0.87 BCL9 (0.51) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL6348206 0.87 BCL9 (0.51) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL3371416 0.86 BCL9 (0.50) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL26019218 0.86 BCL9 (0.50) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL2721373 0.86 BCL9 (0.50) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL1461897 0.84 ELANE (0.60) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL5735581 0.83 HTR2A (0.48) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL27048073 0.83 GAA (0.50) BCL9CTNNB1GAAHTR2AMGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed
WO-2010114770-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-07 WO disclosed