SCHEMBL23736118

SCHEMBL23736118

CN[C@@H]1C(=O)N[C@@H](N)C(O)N[C@H](C(=O)OC)CCCCCc2cc1ccc2OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PDE1C Q14123 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ SCN3A Q9NY46 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15726434 0.84 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL23736377 0.77 — —
SCHEMBL15727268 0.74 TERF2 (0.30) ALDH1A1GAA
SCHEMBL23736111 0.68 SLC6A2 (0.32) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL16003117 0.68 SLC6A2 (0.33) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL22275706 0.63 TP53 (0.32) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL17282907 0.63 GAA (0.33) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL14234967 0.63 GAA (0.33) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL14234456 0.63 GAA (0.33) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL806631 0.62 PDE4A (0.33) PDE4BPDE4APDE4CPDE4DTP53

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-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
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