SCHEMBL29964933

SCHEMBL29964933

NC(=O)C1(O)C=CC(C[C@@H](N)C(=O)O)=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.37
PKM P14618 2/20 0.37
PTGS1 P23219 2/20 0.37
ALPI P09923 1/20 0.37
XIAP P98170 1/20 0.37
USP2 O75604 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.34
RGS12 O14924 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
THPO P40225 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL27590645 0.87 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4262731 0.83 SLC7A5 (0.40) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL7200971 0.82 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL30517265 0.81 SLC7A5 (0.40) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1614571 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL3284389 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29436333 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL28669915 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL28679240 0.81 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL2389248 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP

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
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed