SCHEMBL6545724

SCHEMBL6545724

CCCCCCCC(N)(Cc1cccc(OC(C)(CC)C(=O)O)c1)C(=O)CCc1ccccc1.O=C(Cl)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.49
PPARG P37231 9/20 0.49
GGPS1 O95749 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
CETP P11597 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL6545721 0.87 PPARA (0.46) PPARAPPARGGGPS1S1PR4S1PR1
SCHEMBL6544739 0.79 PPARA (0.48) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL6545718 0.76 PPARG (0.46) PPARAPPARG
SCHEMBL6545717 0.76 PPARG (0.46) PPARAPPARG
SCHEMBL6363253 0.74 PPARA (0.57) PPARAPPARGCETP
SCHEMBL6364312 0.71 PPARG (0.58) PPARAPPARG
SCHEMBL6363875 0.69 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6357740 0.69 PPARA (0.54) PPARAPPARGCETP
SCHEMBL6545681 0.69 PPARA (0.54) PPARAPPARGCETP
SCHEMBL29129794 0.68 PPARG (0.51) PPARAPPARGPLA2G4B

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-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed