SCHEMBL5487763

SCHEMBL5487763

Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.68
PPARA Q07869 13/20 0.67
PPARG P37231 10/20 0.67
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5483798 0.81 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5482061 0.81 PPARD (0.70) PPARDPPARAPPARGMAPT
SCHEMBL5656864 0.81 PPARD (0.67) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL27650470 0.80 PPARD (0.69) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL5484536 0.79 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL27630404 0.79 PPARD (0.55) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL2166922 0.78 PPARD (0.69) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL27630333 0.78 FFAR1 (0.64) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL5655928 0.76 MAPT (0.56) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL1508353 0.74 NPC1 (0.58) PPARDPPARAPPARGNPC1ALDH1A1

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