SCHEMBL28396646

SCHEMBL28396646

CCOC(=O)CCCOc1cc(/C=C/c2ccc(OC)cc2)cc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.68
▸ PPARG P37231 3/20 0.68
▸ PPARD Q03181 3/20 0.68
▸ FFAR1 O14842 2/20 0.68
▸ AHR P35869 3/20 0.63
▸ HDAC3 O15379 1/20 0.60
▸ STAT3 P40763 1/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC10 Q969S8 1/20 0.60
▸ HDAC11 Q96DB2 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ HDAC9 Q9UKV0 1/20 0.60
▸ HDAC5 Q9UQL6 1/20 0.60
▸ ESR1 P03372 4/20 0.58
▸ ABL1 P00519 1/20 0.55
▸ TTR P02766 1/20 0.55

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
SCHEMBL8981963 0.84 BRD4 (0.56) CYSLTR2CYSLTR1BRD4
SCHEMBL3358113 0.82 ESR1 (0.68) PPARAPPARGPPARDFFAR1AHR
SCHEMBL3358118 0.82 ESR1 (0.68) PPARAPPARGPPARDFFAR1AHR
SCHEMBL14832413 0.80 BRD4 (0.47) PPARAPPARGPPARDFFAR1CYP1A2
SCHEMBL13490815 0.80 BRD4 (0.47) PPARAPPARGPPARDFFAR1CYSLTR2
SCHEMBL7043277 0.80 HRH2 (0.57) FFAR1CYSLTR2CYSLTR1BRD4
SCHEMBL19976211 0.79 ESR1 (0.90) PPARAPPARGPPARDFFAR1AHR
SCHEMBL12698684 0.79 ALDH1A1 (0.67) PPARGFFAR1CYSLTR2CYSLTR1BRD4
SCHEMBL15399905 0.78 BRD4 (0.50) CYP1A2PTGS2CYSLTR2CYSLTR1BRD4
SCHEMBL19474670 0.78 LTA4H (0.53) PPARAPPARGPPARDFFAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111166733-A Resveratrol-fatty acid coupling compound and medical application thereof 北京美倍他药物研究有限公司 2020-05-19 — — CN disclosed
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