SCHEMBL7005401

SCHEMBL7005401

CCOC(=O)CC(=O)c1cc(F)c(F)c(OC(C)C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MIF P14174 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPT P10636 5/20 0.35
HTT P42858 2/20 0.35
NLRP3 Q96P20 1/20 0.34
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7811132 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL966496 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL30181119 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL3197468 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL1185918 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL30958584 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL3190037 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL5523919 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL7007708 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AMIF
Acetic Acid SCHEMBL8870017 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AMIF

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