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Sugi Predict / Compounds / SCHEMBL7920304

SCHEMBL7920304

SCHEMBL7920304

C=CC(=O)NCC(=O)ONC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ TGM2 P21980 3/20 0.34
▸ GAA P10253 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
SCHEMBL27458383 0.86 ALDH1A1 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28217419 0.78 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9155063 0.78 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11135735 0.78 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4813094 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18139168 0.77 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL836331 0.77 ALDH1A1 (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
Water SCHEMBL27576823 0.77 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1671374 0.75 TSHR (0.38) TSHRALDH1A1MAPK1TDP1
SCHEMBL13275793 0.75 MGAM (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-6217901-B1 POLYMERIZING POLYMER AND LIPOSOMES ALNIS, LLC 2001-04-17 — — US disclosed