SCHEMBL8900906

SCHEMBL8900906

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.63
CTNNB1 P35222 1/20 0.63
ADRA2A P08913 1/20 0.51
ADRA1A P35348 1/20 0.51
MAPT P10636 6/20 0.50
BLM P54132 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
4-Nitrophenyl Acetate SCHEMBL22637937 0.86 BCL9 (0.64) BCL9CTNNB1ADRA2AADRA1AMAPT
SCHEMBL8662964 0.86 HTR2A (0.54) BCL9CTNNB1MAPTGAAKMT2A
SCHEMBL957930 0.84 BCL9 (0.81) BCL9CTNNB1MAPTGAAKMT2A
SCHEMBL15726675 0.81 BCL9 (0.68) BCL9CTNNB1MAPTGAAKMT2A
SCHEMBL15708571 0.80 BCL9 (0.65) BCL9CTNNB1MAPTGAAKMT2A
SCHEMBL27557226 0.80 BCL9 (0.74) BCL9CTNNB1MAPTGAAKMT2A
SCHEMBL14080886 0.79 BCL9 (0.51) BCL9CTNNB1MAPTGAAKMT2A
Bicarbonate SCHEMBL8662961 0.79 MAPT (0.57) BCL9CTNNB1MAPTGAAKMT2A
Hydrochloric Acid SCHEMBL3899695 0.79 BCL9 (0.63) BCL9CTNNB1MAPTGAAKMT2A
Ammonia Solution, Strong SCHEMBL27640471 0.78 BCL9 (0.59) BCL9CTNNB1MAPTGAAKMT2A

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
JP-9316040-A None JP disclosed
JP-H09316040-A NEW SUBSTRATE COMPOUND AND DETERMINATION OF CHOLINESTERASE ACTIVITY IATRON LAB INC 1997-12-09 JP disclosed