SCHEMBL10435775

SCHEMBL10435775

CCCCCCCCCCC1C=CC=[C]C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
DNTT P04053 1/20 0.35
CYP1A2 P05177 3/20 0.34
PPARG P37231 4/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 2/20 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
SCHEMBL11224811 1.00 NFKB1 (0.37) NFKB1NFKB2RELADNTTCYP1A2
SCHEMBL11304456 0.93 NFKB1 (0.42) NFKB1NFKB2RELAALDH1A1
SCHEMBL9377047 0.85 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL16795709 0.79 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL10517345 0.73 NFKB1 (0.35) NFKB1NFKB2RELAALDH1A1
SCHEMBL4021367 0.73 DNTT (0.42) NFKB1NFKB2RELADNTTCYP1A2
SCHEMBL9755515 0.71 DNTT (0.41) NFKB1NFKB2RELADNTTCYP1A2
SCHEMBL15452912 0.70 DNTT (0.34) NFKB1NFKB2RELADNTTCYP1A2
SCHEMBL14715774 0.70 HRH3 (0.38) CYP1A2
SCHEMBL11766874 0.70 NFKB1 (0.41) NFKB1NFKB2RELADNTTCYP1A2

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-0352697-A2 Electrophotographic photoreceptor FUJI PHOTO FILM CO., LTD. (JP) 1990-01-31 EP disclosed