SCHEMBL23401376

SCHEMBL23401376

CCc1c(O)nn(-c2ccc(OC)cc2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.41
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RPA1 P27694 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL23398462 0.90 PDE4D (0.40) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23399414 0.90 ALDH1A1 (0.41) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23402332 0.88 PDE4D (0.39) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23403357 0.88 PDE4D (0.41) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23399970 0.88 PDE4D (0.39) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23403353 0.88 PDE4D (0.39) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23401077 0.85 PDE4D (0.46) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23399010 0.83 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2HTTTP53
SCHEMBL23398681 0.82 MAPT (0.42) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23400799 0.81 NR4A3 (0.46) PDE4DLMNAALDH1A1SMN1; SMN2L3MBTL1

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