SCHEMBL14501883

SCHEMBL14501883

CCOC(=O)[C@H](Cc1ccc(O[C@H](C)C(=O)O)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.56
PPARG P37231 11/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARD Q03181 8/20 0.49
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5369740 1.00 PPARA (0.56) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL5353508 1.00 PPARA (0.56) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL5353516 1.00 PPARA (0.56) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL5353512 1.00 PPARA (0.56) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL14501972 0.91 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6152285 0.90 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL5364055 0.90 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL5364058 0.90 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL5364847 0.85 LMNA (0.66) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL5364849 0.85 LMNA (0.66) PPARAPPARGLMNAL3MBTL1PPARD

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
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed