SCHEMBL23398663

SCHEMBL23398663

COc1ccc(-n2nc(C(C)(C)C)c(O)c2CC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE4D Q08499 1/20 0.36
RIPK2 O43353 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL23400046 0.85 PDE4D (0.40) CNR1CNR2LMNAALDH1A1PDE4D
SCHEMBL23401776 0.85 LMNA (0.38) LMNAALDH1A1PDE4DPTGS1PTGS2
SCHEMBL23401356 0.85 CACNA1H (0.36) CNR1CNR2LMNAALDH1A1RIPK2
SCHEMBL23403342 0.84 CACNA1H (0.44) ALDH1A1MEN1KMT2A
SCHEMBL23401004 0.83 ALDH1A1 (0.40) CNR1CNR2LMNAALDH1A1PDE4D
SCHEMBL23403046 0.83 PDE4D (0.39) LMNAALDH1A1PDE4DPTGS1PTGS2
SCHEMBL23403588 0.83 PDE4D (0.46) LMNAALDH1A1PDE4DPTGS1PTGS2
SCHEMBL23400104 0.82 CNR1 (0.38) CNR1CNR2LMNAALDH1A1PDE4D
SCHEMBL23398691 0.81 CNR1 (0.38) CNR1CNR2LMNAALDH1A1PDE4D
SCHEMBL23402964 0.80 LMNA (0.38) CNR1CNR2LMNAALDH1A1PDE4D

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