SCHEMBL4348570

SCHEMBL4348570

CC(C)OC(Cc1ccc(OCC(O)COc2ccc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.51
PPARG P37231 13/20 0.49
PPARD Q03181 7/20 0.49
FFAR1 O14842 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL4335069 0.91 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL4334094 0.89 PPARA (0.59) PPARAPPARGPPARDCYP1A2
SCHEMBL4327910 0.89 PPARA (0.51) PPARAPPARGPPARDCYP1A2CYP2D6
SCHEMBL4327644 0.89 PPARA (0.51) PPARAPPARGPPARDCYP1A2CYP2D6
SCHEMBL4327650 0.89 PPARA (0.51) PPARAPPARGPPARDCYP1A2CYP2D6
SCHEMBL4332329 0.89 PPARG (0.48) PPARAPPARGPPARDCYP1A2
SCHEMBL4334556 0.87 PPARA (0.46) PPARAPPARGPPARDMRGPRX4
SCHEMBL4339633 0.85 PPARG (0.55) PPARAPPARGPPARDCYP1A2CYP2D6
SCHEMBL4339632 0.85 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL4337033 0.81 PPARA (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed