SCHEMBL5484281

SCHEMBL5484281

Cc1cc([Se]C(Cc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.49
PPARA Q07869 4/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL5481362 0.85 PPARD (0.70) PPARDPPARA
SCHEMBL5481423 0.84 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL11926062 0.80 PPARD (0.73) PPARDPPARA
SCHEMBL11926059 0.80 PPARD (0.73) PPARDPPARA
SCHEMBL3747786 0.78 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL15097770 0.76 PPARD (0.74) PPARDPPARA
SCHEMBL5487763 0.74 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL15097828 0.74 PPARD (0.70) PPARDPPARA
SCHEMBL4182170 0.73 PPARD (0.75) PPARDPPARA
SCHEMBL27653218 0.73 NPC1 (0.46) PPARDPPARA

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