SCHEMBL6151782

SCHEMBL6151782

CCO[C@@H](Cc1ccc(OCCC(=O)NCc2cccs2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 14/20 0.55
▸ PPARG P37231 10/20 0.55
▸ PPARD Q03181 4/20 0.55
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL6151784 1.00 PPARA (0.55) PPARAPPARGPPARDRAB9ANPC1
SCHEMBL5369659 0.81 RAB9A (0.49) PPARAPPARGPPARDRAB9ATSHR
SCHEMBL5369666 0.81 RAB9A (0.49) PPARAPPARGPPARDRAB9ATSHR
SCHEMBL6685635 0.81 RAB9A (0.49) PPARAPPARGPPARDRAB9ATSHR
SCHEMBL6150506 0.80 PPARA (0.57) PPARAPPARGPPARDLMNATSHR
SCHEMBL6149533 0.78 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6150272 0.77 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL6152282 0.77 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL6152283 0.77 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL27674855 0.77 PPARA (0.81) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 — — EP disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 — — WO disclosed
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