SCHEMBL6933747

SCHEMBL6933747

CCCc1cc(Oc2ccccc2)ccc1OCCCNc1cccc(CCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.58
PPARD Q03181 3/20 0.51
FFAR4 Q5NUL3 3/20 0.49
PPARG P37231 12/20 0.48
GNA15 P30679 1/20 0.48
PTGER3 P43115 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARA Q07869 6/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46

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
SCHEMBL6935508 0.91 FFAR1 (0.55) FFAR1PPARDFFAR4PPARGGNA15
SCHEMBL6935270 0.84 PPARD (0.51) PPARDPPARGPPARA
SCHEMBL6936573 0.84 PPARG (0.52) FFAR1PPARDPPARGPPARAMTNR1A
SCHEMBL6931620 0.84 PPARD (0.52) PPARDPPARGPPARAMTNR1AMTNR1B
SCHEMBL6936737 0.83 FFAR1 (0.54) FFAR1PPARDPPARGPPARA
SCHEMBL6934100 0.79 FFAR1 (0.51) FFAR1PPARDPPARGPPARAMTNR1A
SCHEMBL6936258 0.79 FFAR1 (0.54) FFAR1PPARDPPARGPPARA
SCHEMBL6938575 0.79 PPARG (0.55) PPARDPPARGPPARA
SCHEMBL6936563 0.78 PPARG (0.48) PPARDPPARGPPARA
SCHEMBL6936537 0.78 FFAR1 (0.51) FFAR1PPARDFFAR4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed