SCHEMBL6935592

SCHEMBL6935592

O=C(O)Cc1ccc(NCCCOc2ccc(Oc3ccccc3)cc2CC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
PPARD Q03181 3/20 0.42
SRD5A2 P31213 1/20 0.41
PPARG P37231 6/20 0.41
PPARA Q07869 4/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
GNA15 P30679 1/20 0.39
PTGER3 P43115 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR3C1 P04150 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL6936573 0.85 PPARG (0.52) FFAR1PPARDPPARGPPARANR1H2
SCHEMBL6934100 0.84 FFAR1 (0.51) FFAR1PPARDPPARGPPARANR1H2
SCHEMBL6934012 0.84 FFAR1 (0.51) FFAR1SRD5A2PPARAFFAR4
SCHEMBL6936769 0.82 PPARD (0.50) FFAR1PPARDPPARGPPARA
SCHEMBL6936213 0.81 FFAR1 (0.54) FFAR1PPARDSRD5A2PPARGPPARA
SCHEMBL6935508 0.76 FFAR1 (0.55) FFAR1PPARDPPARGPPARAFFAR4
SCHEMBL6935270 0.75 PPARD (0.51) PPARDPPARGPPARA
SCHEMBL6931620 0.75 PPARD (0.52) PPARDPPARGPPARAMTNR1AMTNR1B
SCHEMBL6936737 0.74 FFAR1 (0.54) FFAR1PPARDPPARGPPARA
SCHEMBL6933731 0.73 MEN1 (0.47) FFAR1PPARDMTNR1AMTNR1B

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