SCHEMBL23398691

SCHEMBL23398691

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE4D Q08499 2/20 0.38
NPBWR1 P48145 1/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK2 O43353 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDE5A O76074 1/20 0.35
PTGS1 P23219 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
SCHEMBL23401004 0.92 ALDH1A1 (0.40) CNR1CNR2PDE4DPTGS2KMT2A
SCHEMBL23400046 0.87 PDE4D (0.40) CNR1CNR2PDE4DPTGS2KMT2A
SCHEMBL23399544 0.86 CDK8 (0.35) CNR1CNR2KMT2ALMNAALDH1A1
SCHEMBL23400516 0.86 PDE4D (0.40) PDE4DNPBWR1PTGS2KMT2APDE4A
SCHEMBL23401230 0.85 PDE4D (0.43) PDE4DNPBWR1PTGS2KMT2APDE4A
SCHEMBL23403226 0.85 PDE4D (0.39) PDE4DNPBWR1PTGS2KMT2APDE4A
SCHEMBL23403568 0.84 POLB (0.40) CNR1CNR2PDE4DKMT2APDE4A
SCHEMBL23398661 0.83 PDE4D (0.48) PDE4DNPBWR1PTGS2KMT2ALMNA
SCHEMBL23401811 0.82 CNR1 (0.38) CNR1CNR2PDE4DNPBWR1PTGS2
SCHEMBL23399978 0.82 PDE4D (0.41) PDE4DNPBWR1PTGS2KMT2APDE4A

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