SCHEMBL9218455

SCHEMBL9218455

CCOC(=O)C(Cl)C(=O)C(CF)(CF)CF

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL290478 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8971069 0.78 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28422244 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL65116 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL882685 0.77 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1444159 0.76 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28694430 0.73 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL19585291 0.72 CYP1A2 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL64224 0.70 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1444162 0.70 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371950-B1 Substituted thiazoles and their use as fungicides MONSANTO CO (US) 1995-01-11 EP disclosed
US-5045554-A Fluoro compounds, rice sheath blight, Basidiomycetes type fungus MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed
EP-0371950-A2 Substituted thiazoles and their use as fungicides Monsanto Company (US) 1990-06-06 EP disclosed