SCHEMBL7008349

SCHEMBL7008349

CCOC(=O)C(F)C(=O)c1cc(C)c([N+](=O)[O-])c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 3/20 0.36
HSD17B2 P37059 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL7005289 0.85 KMT2A (0.38) ALDH1A1PKMMAPTLMNAKDM4E
SCHEMBL7009944 0.77 PKM (0.38) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL6184304 0.76 HSD17B2 (0.40) ALDH1A1MAPTHSD17B2LMNAKDM4E
SCHEMBL4671917 0.75 MAPT (0.37) ALDH1A1PKMMAPTLMNAKDM4E
SCHEMBL7500869 0.73 HSD17B2 (0.47) ALDH1A1MAPTHSD17B2LMNAKDM4E
SCHEMBL7007314 0.72 KMT2A (0.40) ALDH1A1PKMMAPTLMNAKDM4E
SCHEMBL3189052 0.72 SMN1; SMN2 (0.39) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL7811252 0.72 FBP1 (0.38) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL27176878 0.72 NPC1 (0.49) ALDH1A1PKMMAPTHSD17B2LMNA
SCHEMBL7004775 0.71 POLB (0.36) ALDH1A1MAPTLMNAKDM4EKMT2A

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