SCHEMBL30645306

SCHEMBL30645306

NC(=O)CC(C(N)=O)[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
EPHX1 P07099 1/20 0.47
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
CFD P00746 2/20 0.45
PSMB11 A5LHX3 1/20 0.44
PSMA7 O14818 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMA1 P25786 1/20 0.44
PSMA2 P25787 1/20 0.44
PSMA3 P25788 1/20 0.44
PSMA4 P25789 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMA5 P28066 1/20 0.44
PSMB4 P28070 1/20 0.44

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
SCHEMBL29131614 0.82 EPHX2 (0.60) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL29131610 0.82 EPHX2 (0.60) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL29131628 0.80 EPHX2 (0.55) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL29131627 0.80 EPHX2 (0.55) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL29131598 0.79 PSMB11 (0.56) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL30645287 0.78 EPHX2 (0.52) EPHX2ALDH1A1KMT2ATAOK1TAOK3
SCHEMBL29131632 0.75 OPRK1 (0.59) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL29131630 0.75 OPRK1 (0.59) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL9731830 0.73 ALDH1A1 (0.67) EPHX2HTTALDH1A1KMT2AMEN1
SCHEMBL9731535 0.73 KMT2A (0.61) EPHX2HTTALDH1A1KMT2AMEN1

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-117186174-A Tripeptide compound, preparation method and application thereof 浙大城市学院 2023-12-08 CN disclosed