SCHEMBL23259140

SCHEMBL23259140

CC1(C)OB(c2ccc(OCc3ccccc3)c(=O)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
LIPG Q9Y5X9 8/20 0.49
LPL P06858 7/20 0.49
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
EGFR P00533 1/20 0.41
P4HB P07237 1/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9985660 0.92 DGAT1 (0.49) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL17474563 0.83 DGAT1 (0.54) DGAT1LIPGLPLEGFRMAPT
SCHEMBL3761944 0.82 DGAT1 (0.50) DGAT1LIPGLPLEGFRMAPT
SCHEMBL298401 0.81 DGAT1 (0.72) DGAT1LIPGLPLCA9CA1
SCHEMBL3767677 0.81 DGAT1 (0.52) DGAT1LIPGLPLEGFRMAPT
SCHEMBL182480 0.80 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPK1
SCHEMBL15884409 0.80 EGFR (0.52) DGAT1LIPGLPLEGFR
SCHEMBL31750228 0.80 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPT
SCHEMBL24058035 0.80 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPT
SCHEMBL28738862 0.80 DGAT1 (0.51) DGAT1LIPGLPLEGFR

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-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed