SCHEMBL6325792

SCHEMBL6325792

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.36
CETP P11597 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
PRKCA P17252 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
SCHEMBL6325788 1.00 LMNA (0.38) LMNATSHRCETPMMP1MMP2
SCHEMBL6322467 0.80 LMNA (0.37) LMNAMMP1MMP2MMP3MMP9
SCHEMBL6322477 0.80 LMNA (0.37) LMNAMMP1MMP2MMP3MMP9
SCHEMBL28728748 0.79 CETP (0.39) CETPHTT
SCHEMBL6323155 0.78 TSHR (0.40) LMNATSHRCETPMAPTALDH1A1
SCHEMBL6323156 0.78 TSHR (0.40) LMNATSHRCETPMAPTALDH1A1
SCHEMBL6321649 0.76 LMNA (0.33) LMNA
SCHEMBL6321655 0.76 LMNA (0.33) LMNA
SCHEMBL195939 0.75 GAA (0.44) LMNATSHRCETPCYP2D6ALDH1A1
SCHEMBL1532632 0.75 GAA (0.44) LMNATSHRCETPCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893861-B1 Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives LONZA AG (CH) 2005-05-17 US disclosed