SCHEMBL31615980

SCHEMBL31615980

COC(=O)c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ PDE4A P27815 2/20 0.48
▸ PDE4C Q08493 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PIK3CD O00329 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ GPR119 Q8TDV5 2/20 0.44
▸ VCAM1 P19320 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ TOP2A P11388 1/20 0.42

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
SCHEMBL31615816 0.92 ALDH1A1 (0.51) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL31615792 0.90 TOP2A (0.49) PDE4BPDE4DPDE4APDE4CPIK3CD
SCHEMBL18165158 0.84 PDE4B (0.52) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL30011780 0.84 PDE4B (0.52) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL6840366 0.84 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPIK3CD
SCHEMBL29054073 0.84 PDE4B (0.52) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL31615823 0.84 PDE4B (0.52) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL28769135 0.84 CHEK2 (0.55) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL18615671 0.83 MAPT (0.48) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL18615601 0.83 MAPT (0.48) PDE4BALDH1A1PDE4DPDE4APDE4C

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
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 — — WO disclosed
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