SCHEMBL29131602

SCHEMBL29131602

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
TSHR P16473 1/20 0.56
HTT P42858 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
USP2 O75604 1/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
EPHX1 P07099 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52
TAOK3 Q9H2K8 1/20 0.52

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
SCHEMBL29131600 1.00 L3MBTL1 (0.67) L3MBTL1TSHRHTTKMT2AMEN1
SCHEMBL29131625 0.85 USP2 (0.59) L3MBTL1TSHRHTTKMT2AMEN1
SCHEMBL29131622 0.85 USP2 (0.59) L3MBTL1TSHRHTTKMT2AMEN1
SCHEMBL29131611 0.83 HTT (0.60) L3MBTL1TSHRHTTKMT2AMEN1
SCHEMBL29131608 0.83 HTT (0.60) L3MBTL1TSHRHTTKMT2AMEN1
SCHEMBL24105898 0.83 HTT (0.63) TSHRHTTKMT2AMEN1ALDH1A1
SCHEMBL24105900 0.83 HTT (0.63) TSHRHTTKMT2AMEN1ALDH1A1
SCHEMBL12308334 0.83 HTT (0.63) TSHRHTTKMT2AMEN1ALDH1A1
SCHEMBL12310924 0.81 HTT (0.61) TSHRHTTKMT2AMEN1ALDH1A1
SCHEMBL29131636 0.81 KMT2A (0.54) L3MBTL1HTTKMT2AMEN1ALDH1A1

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