SCHEMBL6220108

SCHEMBL6220108

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.50
PPARA Q07869 8/20 0.50
PPARG P37231 6/20 0.50
FFAR1 O14842 8/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 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
SCHEMBL1672348 0.89 FFAR1 (0.47) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL6220642 0.85 PPARD (0.48) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL2463065 0.84 FFAR1 (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL1672351 0.84 FFAR1 (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL3374725 0.82 MAPT (0.60) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL24658286 0.82 PPARD (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL30003995 0.82 PPARD (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL6221366 0.81 FFAR1 (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL24742098 0.81 PPARD (0.43) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL24658514 0.80 PPARD (0.49) PPARDPPARAPPARGFFAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed