SCHEMBL23403226

SCHEMBL23403226

CCCCc1c(O)c(CC)nn1-c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
NPBWR1 P48145 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
TLR8 Q9NR97 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23400516 0.93 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23401230 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23402472 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL23403327 0.90 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23399978 0.90 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23403176 0.88 KMT2A (0.37) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23400039 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23398661 0.85 PDE4D (0.48) PDE4DNPBWR1KMT2ALMNAALDH1A1
SCHEMBL23399966 0.85 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL23402940 0.85 PDE4A (0.36) PDE4DPDE4APDE4BPDE4CKMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed