SCHEMBL29131618

SCHEMBL29131618

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.55
USP2 O75604 1/20 0.54
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
TAS1R2 Q8TE23 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
SCHEMBL29131615 1.00 KMT2A (0.56) KMT2AALDH1A1HTTMEN1L3MBTL1
SCHEMBL5653431 0.84 ALDH1A1 (0.64) KMT2AALDH1A1HTTMEN1TSHR
SCHEMBL29131611 0.82 HTT (0.60) KMT2AALDH1A1HTTMEN1L3MBTL1
SCHEMBL29131608 0.82 HTT (0.60) KMT2AALDH1A1HTTMEN1L3MBTL1
SCHEMBL29131630 0.82 OPRK1 (0.59) KMT2AALDH1A1HTTMEN1TSHR
SCHEMBL29131632 0.82 OPRK1 (0.59) KMT2AALDH1A1HTTMEN1TSHR
SCHEMBL16371380 0.82 KMT2A (0.55) KMT2AALDH1A1HTTMEN1L3MBTL1
SCHEMBL16370583 0.82 KMT2A (0.55) KMT2AALDH1A1HTTMEN1L3MBTL1
SCHEMBL12310924 0.80 HTT (0.61) KMT2AALDH1A1HTTMEN1TSHR
SCHEMBL29131614 0.80 EPHX2 (0.60) KMT2AALDH1A1HTTMEN1TSHR

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