SCHEMBL9755515

SCHEMBL9755515

CCCCCCCCCCCCC1C=CC=CC1=O.[Na]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.41
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 2/20 0.34
TRPA1 O75762 2/20 0.33
NR4A2 P43354 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4021367 0.98 DNTT (0.42) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL27499179 0.91 NFKB1 (0.44) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL27483872 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL27672394 0.74 NFKB1 (0.33) DNTTNFKB1NFKB2RELA
SCHEMBL11224811 0.71 NFKB1 (0.37) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL14127829 0.71 NFKB1 (0.37) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL10435775 0.71 NFKB1 (0.37) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL15452912 0.70 DNTT (0.34) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL11766874 0.70 NFKB1 (0.41) DNTTNFKB1NFKB2RELAPPARG
SCHEMBL6053252 0.69 DNTT (0.36) DNTTNFKB1NFKB2RELAPPARG

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
WO-1991004796-A1 MEMBRANE-FORMING FOAM COMPOSITION AND METHOD RUSMAR INCORPORATED (US) 1991-04-18 WO disclosed