SCHEMBL8024709

SCHEMBL8024709

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.64
CTNNB1 P35222 1/20 0.64
GAA P10253 2/20 0.58
MGLL Q99685 2/20 0.56
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
HTR2A P28223 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL161868 0.87 BCL9 (0.74) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL7063519 0.85 GAA (0.65) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL2294100 0.84 BCL9 (0.76) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL28018668 0.84 BCL9 (0.57) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL27716579 0.83 BCL9 (0.73) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL3989423 0.82 GAA (0.62) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL8024466 0.82 BCL9 (0.55) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL11583339 0.81 BCL9 (0.61) BCL9CTNNB1GAAMGLLMAPT
Alcohol SCHEMBL20595561 0.81 BCL9 (0.66) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL7061678 0.81 GAA (0.60) BCL9CTNNB1GAAMGLLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101218237-A Oxime derivatives and process for producing the same TANABE SEIYAKU CO (JP) 2008-07-09 CN disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed