SCHEMBL29131622

SCHEMBL29131622

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
ALDH1A1 P00352 4/20 0.58
TAOK1 Q7L7X3 2/20 0.57
TAOK3 Q9H2K8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51

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
SCHEMBL29131625 1.00 USP2 (0.59) USP2ALDH1A1TAOK1TAOK3L3MBTL1
SCHEMBL29131600 0.85 L3MBTL1 (0.67) USP2ALDH1A1TAOK1TAOK3L3MBTL1
SCHEMBL29131602 0.85 L3MBTL1 (0.67) USP2ALDH1A1TAOK1TAOK3L3MBTL1
SCHEMBL29131627 0.85 EPHX2 (0.55) ALDH1A1L3MBTL1HTTKMT2AMEN1
SCHEMBL29131628 0.85 EPHX2 (0.55) ALDH1A1L3MBTL1HTTKMT2AMEN1
SCHEMBL29131637 0.85 KMT2A (0.54) ALDH1A1TAOK1TAOK3L3MBTL1HTT
SCHEMBL29131636 0.85 KMT2A (0.54) ALDH1A1TAOK1TAOK3L3MBTL1HTT
SCHEMBL5653431 0.83 ALDH1A1 (0.64) USP2ALDH1A1TAOK1TAOK3HTT
SCHEMBL12310924 0.79 HTT (0.61) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL29131611 0.79 HTT (0.60) ALDH1A1TAOK1TAOK3L3MBTL1HTT

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