SCHEMBL6935508

SCHEMBL6935508

CCCc1cc(Oc2ccccc2)ccc1OCCCNc1ccc(CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.55
FFAR4 Q5NUL3 4/20 0.55
GNA15 P30679 1/20 0.54
PTGER3 P43115 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PPARG P37231 10/20 0.52
PPARD Q03181 3/20 0.50
PPARA Q07869 5/20 0.49
MTNR1B P49286 2/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL6936573 0.91 PPARG (0.52) FFAR1PPARGPPARDPPARAMTNR1B
SCHEMBL6933747 0.91 FFAR1 (0.58) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL6931620 0.89 PPARD (0.52) PPARGPPARDPPARAMTNR1BMTNR1A
SCHEMBL6936737 0.88 FFAR1 (0.54) FFAR1PPARGPPARDPPARA
SCHEMBL6934100 0.86 FFAR1 (0.51) FFAR1PPARGPPARDPPARAMTNR1B
SCHEMBL6935270 0.85 PPARD (0.51) PPARGPPARDPPARA
SCHEMBL6936258 0.84 FFAR1 (0.54) FFAR1PPARGPPARDPPARA
SCHEMBL6938575 0.84 PPARG (0.55) PPARGPPARDPPARA
SCHEMBL6936537 0.83 FFAR1 (0.51) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL6936563 0.82 PPARG (0.48) PPARGPPARDPPARA

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