SCHEMBL14501364

SCHEMBL14501364

COC(=O)COc1cc(/C=C/CO)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.46
▸ PPARD Q03181 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ HDAC3 O15379 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL14501365 0.89 PPARG (0.46) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL4685048 0.87 PPARG (0.60) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL4685042 0.87 PPARG (0.60) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL28981586 0.83 CYP1A1 (0.64) PTGS2CYP1A1CYP1B1HDAC6MAPK1
SCHEMBL28981584 0.83 CYP1A1 (0.64) PTGS2CYP1A1CYP1B1HDAC6MAPK1
SCHEMBL3927973 0.83 GAA (0.53) PTGS2MAPK1KDM4EGAA
SCHEMBL14501312 0.82 CYSLTR2 (0.59) PPARGPPARAPTGS2CYP1A2CYSLTR2
SCHEMBL4683424 0.77 PPARG (0.58) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL4683420 0.77 PPARG (0.58) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL21224752 0.75 GAA (0.46) PTGS2MAPK1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 — — US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 — — US disclosed
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