SCHEMBL5230580

SCHEMBL5230580

COc1ccc(-c2ncc(F)c(CNCCCOc3ccc4c(ccn4CC(=O)O)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.51
PPARD Q03181 14/20 0.47
PPARA Q07869 12/20 0.47
GRIN2B Q13224 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
GRM2 Q14416 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL2010083 0.82 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL2004288 0.80 MTNR1A (0.40) PPARDPPARAGRIN2B
SCHEMBL2002556 0.79 PPARG (0.47) PPARGPPARDPPARAGRIN2BITGB3
SCHEMBL1400840 0.77 PPARA (0.64) PPARGPPARDPPARA
SCHEMBL2004368 0.77 APP (0.35) PPARDPPARAGRIN2B
SCHEMBL12568430 0.76 PPARD (0.48) PPARGPPARDPPARAGRM2MCL1
SCHEMBL12568696 0.75 PPARD (0.62) PPARGPPARDPPARA
SCHEMBL12568704 0.74 PPARD (0.53) PPARGPPARDPPARAGRIN2B
SCHEMBL2004366 0.74 MTNR1A (0.39)
SCHEMBL12568713 0.74 ITGB3 (0.46) PPARGPPARDPPARAITGB3ITGAV

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
EP-1620088-A4 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORP (US) 2007-08-29 EP disclosed
EP-1620088-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004098498-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-18 WO disclosed