SCHEMBL29131636

SCHEMBL29131636

NC(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.52
EPHX2 P34913 2/20 0.52
ALDH1A1 P00352 3/20 0.51
CFD P00746 2/20 0.50
MEN1 O00255 2/20 0.50
EPHX1 P07099 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAOK1 Q7L7X3 2/20 0.48
TAOK3 Q9H2K8 1/20 0.48

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
SCHEMBL29131637 1.00 KMT2A (0.54) KMT2AHTTEPHX2ALDH1A1CFD
SCHEMBL29131627 0.89 EPHX2 (0.55) KMT2AHTTEPHX2ALDH1A1CFD
SCHEMBL29131628 0.89 EPHX2 (0.55) KMT2AHTTEPHX2ALDH1A1CFD
SCHEMBL29131622 0.85 USP2 (0.59) KMT2AHTTALDH1A1MEN1L3MBTL1
SCHEMBL29131625 0.85 USP2 (0.59) KMT2AHTTALDH1A1MEN1L3MBTL1
SCHEMBL29131632 0.83 OPRK1 (0.59) KMT2AHTTEPHX2ALDH1A1CFD
SCHEMBL29131630 0.83 OPRK1 (0.59) KMT2AHTTEPHX2ALDH1A1CFD
SCHEMBL9731535 0.81 KMT2A (0.61) KMT2AHTTEPHX2ALDH1A1MEN1
SCHEMBL29131600 0.81 L3MBTL1 (0.67) KMT2AHTTALDH1A1MEN1EPHX1
SCHEMBL29131602 0.81 L3MBTL1 (0.67) KMT2AHTTALDH1A1MEN1EPHX1

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