SCHEMBL23403176

SCHEMBL23403176

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
NPBWR1 P48145 2/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23401359 0.93 PDE4D (0.40) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23400702 0.91 PDE4D (0.36) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23400516 0.89 PDE4D (0.40) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23403226 0.88 PDE4D (0.39) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23401230 0.88 PDE4D (0.43) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23398465 0.88 PDE4D (0.39) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23401776 0.87 LMNA (0.38) PDE4DPOLBLMNAALDH1A1KDM4E
SCHEMBL23399052 0.86 CACNA1H (0.34) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23400256 0.85 PDE4D (0.42) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL23401858 0.85 CACNA1H (0.42) PDE4DPDE4APDE4BPDE4CPOLB

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