SCHEMBL7620765

SCHEMBL7620765

CCC(Cc1ccc(OCCc2ccc(COC)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.55
PPARG P37231 13/20 0.55
PPARD Q03181 6/20 0.53
PTGES O14684 4/20 0.48
ALOX5 P09917 4/20 0.48
FFAR1 O14842 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.45

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
SCHEMBL6818192 0.89 PPARG (0.47) PPARAPPARGPPARDFFAR1LMNA
SCHEMBL7247920 0.82 PPARG (0.56) PPARAPPARGPPARDPTGESALOX5
SCHEMBL5991810 0.81 PPARG (0.55) PPARAPPARGPPARDPTGESALOX5
SCHEMBL28441594 0.80 PPARA (0.62) PPARAPPARGPPARDALOX5FFAR1
SCHEMBL6821634 0.79 FFAR1 (0.40) PPARAPPARGFFAR1LMNAL3MBTL1
SCHEMBL4453569 0.77 PPARG (0.72) PPARAPPARGPPARDEPHX2
SCHEMBL12191490 0.77 PPARG (0.72) PPARAPPARGPPARDEPHX2
SCHEMBL6817238 0.77 ACE (0.54) PPARG
SCHEMBL6817237 0.77 ACE (0.54) PPARG
SCHEMBL6378617 0.75 LDHA (0.76) PPARAPPARGPPARDFFAR1LMNA

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-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed