SCHEMBL8540406

SCHEMBL8540406

COc1ccc(C(O)CCCCCBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.51
▸ GAA P10253 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GSK3B P49841 1/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL2829738 0.84 AOC3 (0.53) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL28446300 0.84 AOC3 (0.53) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL10327515 0.84 AOC3 (0.53) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL19391564 0.84 AOC3 (0.53) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL6478106 0.84 AOC3 (0.53) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL7810785 0.82 CYP19A1 (0.45) ALDH1A1MAPTGSK3BMEN1CYP2D6
SCHEMBL31287488 0.82 AOC3 (0.54) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL9085141 0.80 AOC3 (0.56) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL6055130 0.80 AOC3 (0.56) AOC3GAAALDH1A1MAPTHTR1A
SCHEMBL22034393 0.80 AOC3 (0.49) AOC3GAAALDH1A1MAPTHTR1A

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-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 — — US disclosed
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