SCHEMBL6933731

SCHEMBL6933731

C=CCc1cc(Oc2ccccc2)ccc1OCCCCNc1cccc(CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 3/20 0.44
KDM4E B2RXH2 5/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
LMNA P02545 1/20 0.40
MTNR1B P49286 2/20 0.39
PDE5A O76074 1/20 0.39
MTNR1A P48039 1/20 0.39
PPARD Q03181 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6934012 0.89 FFAR1 (0.51) MEN1KMT2AFFAR1KDM4ELMNA
SCHEMBL6933747 0.76 FFAR1 (0.58) FFAR1MTNR1BMTNR1APPARD
SCHEMBL6936573 0.74 PPARG (0.52) FFAR1MTNR1BMTNR1APPARD
SCHEMBL6934100 0.74 FFAR1 (0.51) FFAR1MTNR1BMTNR1APPARD
SCHEMBL6933038 0.73 PPARD (0.61) PPARD
SCHEMBL6935592 0.73 FFAR1 (0.50) FFAR1MTNR1BMTNR1APPARD
SCHEMBL11073004 0.73 SELP (0.43) KDM4EPPARDNPC1RAB9A
SCHEMBL6936584 0.73 PLA2G4B (0.59) PPARD
SCHEMBL6935270 0.72 PPARD (0.51) PPARD
SCHEMBL6936769 0.72 PPARD (0.50) FFAR1PTGDR2PPARD

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