SCHEMBL21673199

SCHEMBL21673199

CC(C)COC(=O)C(N)CN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.39
SLC7A5 Q01650 1/20 0.38
CACNA2D1 P54289 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
SLC1A1 P43005 1/20 0.31

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
SCHEMBL19028007 0.82 TSHR (0.48) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL16086739 0.82 TSHR (0.43) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL7359844 0.82 SLC7A5 (0.54) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL4762688 0.82 SLC7A5 (0.54) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL563054 0.82 TSHR (0.48) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL564046 0.82 TSHR (0.48) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL23604237 0.80 TSHR (0.42) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL6674403 0.80 PTGS1 (0.44) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL18075518 0.80 TSHR (0.42) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL25071289 0.80 TSHR (0.42) TSHRALDH1A1SLC7A5SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604457-B1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN MICROPARTICLES FOR INK FUJIFILM CORP (JP) 2022-02-09 EP disclosed
EP-3604457-A1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN FINE PARTICLES FOR INKS FUJIFILM Corporation (JP) 2020-02-05 EP disclosed