SCHEMBL6964585

SCHEMBL6964585

CCCCc1ccc(OCCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(CNC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
GSK3B P49841 1/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
APAF1 O14727 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARD Q03181 2/20 0.31
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PTGS2 P35354 2/20 0.31

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
SCHEMBL6960258 0.92 PPARG (0.34) PPARGPPARAGSK3BHTTMAPT
SCHEMBL6963879 0.91 GSK3B (0.34) PPARGPPARAGSK3BPTGS1PTGS2
SCHEMBL6966164 0.89 PPARG (0.32) PPARGPPARAGSK3BPTGS1PTGS2
Hydrochloric Acid SCHEMBL6964518 0.88 PPARG (0.32) PPARGPPARAGSK3BPTGS1PTGS2
Hydrochloric Acid SCHEMBL6958992 0.84 PPARG (0.34) PPARGPPARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6965523 0.83 ALDH1A1 (0.33) PPARGPPARAPTGS1PTGS2
SCHEMBL6959448 0.83 PPARG (0.36) PPARGPPARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6956171 0.82 ALDH1A1 (0.33) PPARGPPARA
SCHEMBL6960256 0.81 PPARG (0.36) PPARGPPARAGSK3BPTGS1KMT2A
Hydrochloric Acid SCHEMBL6965517 0.81 PPARG (0.35) PPARGPPARAPTGS1PTGS2

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-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed