SCHEMBL8413328

SCHEMBL8413328

CCOC(=O)C(F)(F)C[C@@H](C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 4/20 0.34
PKM P14618 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 3/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL8413326 1.00 MMP8 (0.42) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL10290301 0.84 MMP8 (0.53) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL22490101 0.81 MMP8 (0.42) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL20654571 0.79 MMP8 (0.38) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL4138413 0.78 MMP8 (0.47) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL24363762 0.77 KMT2A (0.42) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL23907130 0.76 MMP8 (0.45) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL6745440 0.76 MMP8 (0.38) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL20413839 0.75 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL1681615 0.74 CYP4F2 (0.44) MMP8ALDH1A1PKMKMT2AKDM4E

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-0690049-B1 Agent for treating hepato biliary diseases R TECH UENO LTD (JP) 1999-08-04 EP disclosed
US-5739161-A PROSTAGLANDINS; DIARRHEA SIDE EFFECT REDUCTION R-TECH UENO, LTD. (JP) 1998-04-14 US disclosed
EP-0690049-A2 Agent for treating hepato biliary diseases R-TECH UENO LTD. (JP) 1996-01-03 EP disclosed