SCHEMBL6559176

SCHEMBL6559176

CCCc1cc2cc(-c3ccccc3)oc2cc1OCCCNc1ccc(CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
PPARD Q03181 6/20 0.49
PPARA Q07869 5/20 0.49
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
FFAR1 O14842 2/20 0.43
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY14 Q15391 1/20 0.40
ABCB1 P08183 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ACLY P53396 1/20 0.38
S1PR1 P21453 2/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL7046068 0.84 PPARG (0.49) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933761 0.77 LTB4R (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936573 0.77 PPARG (0.52) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4055456 0.76 PPARG (0.42) PPARGPPARDPPARAFFAR1KDM4E
SCHEMBL6559384 0.75 PPARG (0.36) PPARGPPARDPPARAFFAR1KDM4E
SCHEMBL6934100 0.73 FFAR1 (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7041401 0.72 HPSE (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560654 0.72 PPARD (0.66) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5008859 0.72 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL7041507 0.71 PPARG (0.78) PPARGPPARDPPARANR1H2NR1H3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed