SCHEMBL5728981

SCHEMBL5728981

CC(C)OC(=O)NCc1[c]c(OCCCCOc2ccc3c(-c4ccccc4)coc3c2)ccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4896302 0.81 PPARG (0.61) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL5730465 0.80 MAPT (0.40) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL5729518 0.79 PPARA (0.42) ALDH1A1NPC1RAB9APPARGPPARA
SCHEMBL5729898 0.77 PPARA (0.42) ALDH1A1NPC1RAB9APPARGPPARA
SCHEMBL4744416 0.71 HRH3 (0.53) —
SCHEMBL4896297 0.70 ALDH2 (0.47) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL5730171 0.70 PPARG (0.62) PPARGPPARA
SCHEMBL4746377 0.69 HRH3 (0.53) —
SCHEMBL4896442 0.69 ALDH2 (0.64) MAPTALDH1A1PIN1ALDH2MAOA
SCHEMBL5730809 0.69 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2HDAC6MAOB

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-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 — — EP disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 — — EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 — — WO disclosed
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