SCHEMBL5482065

SCHEMBL5482065

Cc1cc([Se]Cc2sc(-c3ccccc3C(F)(F)F)nc2C)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.52
PPARA Q07869 11/20 0.52
PPARG P37231 6/20 0.52
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
S1PR1 P21453 1/20 0.32
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL5482061 0.84 PPARD (0.70) PPARDPPARAPPARGMAPT
SCHEMBL3954496 0.82 PPARD (0.50) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL3889190 0.76 TRPA1 (0.36) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL3965973 0.71 PPARD (0.41) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL2166493 0.70 HSD11B1 (0.43) PPARDPPARAMEN1ALDH1A1CYP3A4
SCHEMBL2166533 0.68 TP53 (0.45) PPARDPPARAMEN1ALDH1A1CYP3A4
SCHEMBL5483798 0.66 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL3954490 0.66 PPARD (0.68) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL280301 0.65 TP53 (0.44) PPARDPPARAPPARGALDH1A1CYP3A4
SCHEMBL2468793 0.65 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1

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
EP-1841748-B1 ORGANOSELENIUM CONTAINING COMPOUNDS AND THEIR USE SEOUL NAT UNIV IND FOUNDATION (KR) 2011-12-28 EP disclosed
EP-1841748-A1 ORGANOSELENIUM CONTAINING COMPOUNDS AND THEIR USE Kang, Heonjoong (KR) 2007-10-10 EP disclosed
WO-2006071103-A1 ORGANOSELENIUM CONTAINING COMPOUNDS AND THEIR USE KANG HEONJOONG (KR) 2006-07-06 WO disclosed