SCHEMBL6323156

SCHEMBL6323156

COC(=O)C[C@@H](O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
CETP P11597 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CFTR P13569 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL6323155 1.00 TSHR (0.40) TSHRHSD17B10CETPMGAMGAA
SCHEMBL27528726 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL26273500 0.79 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL6325788 0.78 LMNA (0.38) TSHRCETPMAPTHTTALDH1A1
SCHEMBL1532632 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL16190580 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL195939 0.78 GAA (0.44) TSHRHSD17B10CETPMGAMGAA
SCHEMBL6325792 0.78 LMNA (0.38) TSHRCETPMAPTHTTALDH1A1
SCHEMBL6342061 0.77 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL6382635 0.77 F2 (0.33) TSHRHSD17B10MGAMGAASI

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