SCHEMBL19300076

SCHEMBL19300076

COC(=O)C(F)(F)OC(F)(F)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KCNN4 O15554 1/20 0.34
SRC P12931 1/20 0.31
GAA P10253 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CTRB1 P17538 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
SCHEMBL11938228 0.89 DGAT1 (0.36) DGAT1ALDH1A1KCNN4MAPT
SCHEMBL18136749 0.89 DGAT1 (0.36) DGAT1ALDH1A1KCNN4
SCHEMBL12658242 0.87 DGAT1 (0.34) DGAT1ALDH1A1KCNN4
SCHEMBL9136368 0.87 DGAT1 (0.34) DGAT1ALDH1A1KCNN4
SCHEMBL7560867 0.85 ALDH1A1 (0.37) DGAT1ALDH1A1KCNN4GAAMEN1
SCHEMBL30775480 0.83 ALDH1A1 (0.32) DGAT1ALDH1A1
SCHEMBL7258369 0.81 ALDH1A1 (0.35) DGAT1ALDH1A1
SCHEMBL8956185 0.81 ALDH1A1 (0.32) DGAT1ALDH1A1
SCHEMBL7559948 0.81 ALDH1A1 (0.32) DGAT1ALDH1A1
SCHEMBL11938217 0.81 ALDH1A1 (0.35) DGAT1ALDH1A1

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
WO-2017147212-A1 COMPOSITIONS AND METHODS FOR IMAGING CELL POPULATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-31 WO disclosed