SCHEMBL26678546

SCHEMBL26678546

O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCOC(C(=O)O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ ACE P12821 3/20 0.37
▸ ACE2 Q9BYF1 3/20 0.37
▸ FAAH O00519 2/20 0.37
▸ HRH1 P35367 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL26027305 1.00 AKT1 (0.42) AKT1ALDH1A1SMN1; SMN2EPHX2ACE
SCHEMBL26027432 1.00 AKT1 (0.42) AKT1ALDH1A1SMN1; SMN2EPHX2ACE
SCHEMBL26503041 0.87 AKT1 (0.47) AKT1ALDH1A1SMN1; SMN2FAAHOPRD1
SCHEMBL24037988 0.87 AKT1 (0.44) AKT1ALDH1A1SMN1; SMN2ACEACE2
SCHEMBL25000276 0.85 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HRH1OPRD1
SCHEMBL31365048 0.84 AKT1 (0.39) AKT1EPHX2HRH1OPRD1
SCHEMBL26348504 0.84 AKT1 (0.45) AKT1ALDH1A1SMN1; SMN2OPRD1
SCHEMBL23630030 0.84 AKT1 (0.48) AKT1ALDH1A1SMN1; SMN2ACE
SCHEMBL23630027 0.84 AKT1 (0.48) AKT1ALDH1A1SMN1; SMN2ACE
SCHEMBL25873361 0.84 AKT1 (0.48) AKT1ALDH1A1SMN1; SMN2

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
EP-4265620-A1 NOVEL CAMPTOTHECIN DERIVATIVE, COMPOSITION CONTAINING SAME, AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-10-25 — — EP disclosed
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