SCHEMBL28805636

SCHEMBL28805636

COc1cc(-c2ccc3ccccc3c2[Se](=O)c2c(-c3cc(OC)c(OC)c(OC)c3)ccc3ccccc23)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ CYP1A1 P04798 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ PDGFRB P09619 5/20 0.48
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL27918824 0.78 CYP1A1 (0.49) PTGESALOX5CYP1A1CYP1B1PDGFRB
SCHEMBL27918823 0.77 PTGES (0.50) PTGESALOX5CYP1A1CYP1B1PDGFRB
SCHEMBL27901006 0.73 ALDH1A1 (0.45) PTGESALOX5MAPTMEN1ALDH1A1
SCHEMBL28805635 0.71 PDGFRB (0.44) PTGESALOX5CYP1A1CYP1B1PDGFRB
SCHEMBL8812726 0.71 KMT2A (0.43) PTGESALOX5CYP1A1CYP1B1PDGFRB
SCHEMBL16082559 0.68 ALDH1A1 (0.54) CYP1A1CYP1B1MAPTMEN1ALDH1A1
SCHEMBL6130225 0.67 MAPT (0.73) PTGESALOX5CYP1A1CYP1B1MAPT
SCHEMBL28525140 0.67 SYK (0.52) PTGESALOX5CYP1A1CYP1B1PDGFRB
SCHEMBL13744500 0.66 SMN1; SMN2 (0.58) CYP1A1CYP1B1MAPTMEN1ALDH1A1
SCHEMBL27873366 0.66 MAPT (0.52) PTGESALOX5CYP1A1CYP1B1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086935-B Diphenyl selenide, diphenyl selenoxide, diphenyl selenone compounds and uses thereof UNIV SHENYANG PHARMACEUTICAL 2015-05-20 — — CN claimed
CN-103086935-B Diphenyl selenide, diphenyl selenoxide, diphenyl selenone compounds and uses thereof UNIV SHENYANG PHARMACEUTICAL 2015-05-20 — — CN disclosed
CN-103086935-A Diphenyl selenide, diphenyl selenoxide, diphenyl selenone compounds and uses thereof UNIV SHENYANG PHARMACEUTICAL 2013-05-08 — — CN disclosed
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