SCHEMBL23398477

SCHEMBL23398477

CCCc1nn(-c2ccc(OC)cc2)c(C(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
NPBWR1 P48145 5/20 0.38
MCHR1 Q99705 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
DCTPP1 Q9H773 1/20 0.36
MAPT P10636 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
SCHEMBL23403669 0.92 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23400728 0.89 NPBWR1 (0.41) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23402434 0.85 LMNA (0.38) PDE4DNPBWR1MCHR1LMNAALDH1A1
SCHEMBL23399369 0.85 TP53 (0.35) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL23401487 0.83 USP2 (0.43) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23403412 0.82 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL23399966 0.82 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL23400256 0.82 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23402632 0.82 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL23402945 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CMEN1

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