SCHEMBL6816552

SCHEMBL6816552

COc1ccc(-c2[c]c(C)c(-c3ccc(OC)cc3)c(C)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ACHE P22303 1/20 0.39
ESR2 Q92731 1/20 0.38
APP P05067 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 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
SCHEMBL8475285 0.86 PTGS2 (0.40) PTGS2CA12CA1CA2CA7
SCHEMBL8474991 0.83 PTGS2 (0.38) PTGS2CA12CA1CA2CA7
SCHEMBL8478177 0.77 PTGS2 (0.39) PTGS2CA12CA1CA2CA7
SCHEMBL8476656 0.75 ACHE (0.43) PTGS2CA1CA2ACHEHPGD
SCHEMBL8481099 0.73 HEXA (0.39) PTGS2CA12CA1CA2CA7
SCHEMBL8480669 0.71 HEXA (0.38) PTGS2ACHEESR2APPLMNA
SCHEMBL8477582 0.71 MAPT (0.38) PTGS2ESR2LMNAMAPT
SCHEMBL20323072 0.71 CA1 (0.69) PTGS2CA12CA1CA2CA7
SCHEMBL8480091 0.70 PTGS2 (0.47) PTGS2ESR2LMNANPC1RAB9A
SCHEMBL8474810 0.69 MAPT (0.37) PTGS2ESR2LMNAMAPT

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
US-6733698-B2 Mixture of mono-, bis- and tris-(hydroxyaryl) phosphine oxides useful to make polyglycidyl ethers or in epoxy compositions PABU SERVICES, INC. 2004-05-11 US disclosed