SCHEMBL7008342

SCHEMBL7008342

CCOC(=O)CC(=O)c1cc(OC)c([N+](=O)[O-])c(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 2/20 0.40
HTT P42858 1/20 0.39
TNF P01375 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7005285 0.86 MAPT (0.37) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL7009750 0.79 PKM (0.58) ALDH1A1KDM4EPKMHTTPOLB
SCHEMBL7007303 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4EPKM
SCHEMBL7010043 0.76 LMNA (0.43) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL7011507 0.75 MAPT (0.38) ALDH1A1KMT2AMEN1KDM4EPKM
SCHEMBL29784708 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28817121 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL12108929 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL3190037 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL10391659 0.73 MAPT (0.37) ALDH1A1KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed