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SCHEMBL29131628

SCHEMBL29131628

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.55
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CFD P00746 2/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ L3MBTL1 Q9Y468 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
SCHEMBL29131627 1.00 EPHX2 (0.55) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL29131636 0.89 KMT2A (0.54) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL29131637 0.89 KMT2A (0.54) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL29131622 0.85 USP2 (0.59) HTTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29131625 0.85 USP2 (0.59) HTTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29131610 0.84 EPHX2 (0.60) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL29131614 0.84 EPHX2 (0.60) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL30645306 0.80 EPHX2 (0.53) EPHX2HTTALDH1A1CFDKMT2A
SCHEMBL29131600 0.79 L3MBTL1 (0.67) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL29131602 0.79 L3MBTL1 (0.67) HTTALDH1A1KMT2AMEN1EPHX1

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