SCHEMBL4343733

SCHEMBL4343733

COC(COc1cccc(CC(OC(C)C)C(=O)O)c1)COc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 6/20 0.44
PPARD Q03181 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL4327644 0.90 PPARA (0.51) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL4327650 0.90 PPARA (0.51) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL4327910 0.90 PPARA (0.51) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL4332539 0.90 PPARA (0.50) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL4339171 0.90 PPARA (0.50) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL4332536 0.90 PPARA (0.50) PPARAPPARGPPARDMRGPRX4MEN1
SCHEMBL6653525 0.87 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL4336847 0.87 PPARA (0.54) PPARAPPARGPPARDMRGPRX4
SCHEMBL4341219 0.86 PPARA (0.53) PPARAPPARGPPARDMRGPRX4
SCHEMBL4334118 0.83 MEN1 (0.54) PPARAPPARGPPARDMRGPRX4MEN1

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 3 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