SCHEMBL28679240

SCHEMBL28679240

NC(CC1=CCC(O)(Br)C=C1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.39
PTGS1 P23219 3/20 0.38
PKM P14618 2/20 0.38
ALPI P09923 1/20 0.38
XIAP P98170 1/20 0.38
GRIK1 P39086 3/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK5 Q16478 1/20 0.37
GRB2 P62993 1/20 0.37
ALOX15 P16050 4/20 0.36
HIF1A Q16665 4/20 0.36
USP2 O75604 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL29462809 0.86 SLC7A5 (0.39) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL4262731 0.84 SLC7A5 (0.40) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL29054244 0.84 SLC7A5 (0.37) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL7200971 0.83 SLC7A5 (0.39) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL29436333 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL1614571 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL3284389 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL28669915 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2389248 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL229096 0.82 SLC7A5 (0.38) SLC7A5PTGS1PKMALPIXIAP

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
CN-114026230-A Synthetic genome 英国研究与创新署 2022-02-08 CN disclosed