Sugi Predict

Sugi Predict / Compounds / SCHEMBL5483798

SCHEMBL5483798

SCHEMBL5483798

Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 20/20 1.00
▸ PPARA Q07869 14/20 0.78
▸ PPARG P37231 8/20 0.76
▸ FFAR1 O14842 1/20 0.63

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
SCHEMBL5484536 0.90 PPARD (0.82) PPARDPPARAPPARGFFAR1
SCHEMBL5655979 0.84 PPARD (0.89) PPARDPPARAPPARGFFAR1
SCHEMBL5656255 0.84 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL6236634 0.83 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL5656300 0.83 PPARD (0.81) PPARDPPARAPPARGFFAR1
SCHEMBL4852816 0.83 PPARD (0.71) PPARDPPARAPPARGFFAR1
SCHEMBL5656612 0.83 PPARD (0.75) PPARDPPARAPPARGFFAR1
Gw501516 SCHEMBL29356729 0.83 PPARD (1.00) PPARDPPARAPPARG
Gw501516 SCHEMBL68714 0.83 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL4853534 0.82 PPARD (0.70) PPARDPPARAPPARGFFAR1

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