SCHEMBL31679679

SCHEMBL31679679

COC(=O)C(=O)c1ccc(OC)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
RAD52 P43351 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.54
KMT2A Q03164 3/20 0.53
TNFRSF1A P19438 1/20 0.53
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL31432461 0.87 BACE1 (0.52) NPC1PDE4APDE4BPDE4CPDE4D
SCHEMBL29280622 0.86 NPC1 (0.49) NPC1MAPTALDH1A1HPGDLMNA
SCHEMBL29016484 0.84 NPC1 (0.58) NPC1PDE4APDE4BPDE4CPDE4D
SCHEMBL10319165 0.84 NPC1 (0.62) NPC1PDE4APDE4BPDE4CPDE4D
SCHEMBL11560763 0.83 NPC1 (0.54) NPC1PDE4APDE4BPDE4CPDE4D
SCHEMBL22406820 0.83 ABCG2 (0.50) NPC1TP53MAPTHPGDABCG2
SCHEMBL14638474 0.82 NPC1 (0.68) NPC1PDE4APDE4DMAPTALDH1A1
SCHEMBL11019875 0.82 ALDH1A1 (0.64) NPC1PDE4APDE4BPDE4CPDE4D
SCHEMBL14639081 0.82 NPC1 (0.42) NPC1PDE4APDE4BPDE4CPDE4D
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.81 KMT2A (0.64) NPC1TP53MAPTALDH1A1HPGD

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-4610249-A1 BENZOYLFORMIC ACID AMIDE DERIVATIVE KJ Chemicals Corporation (JP) 2025-09-03 EP disclosed