SCHEMBL7779001

SCHEMBL7779001

CC(=CCCNCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.36
PPARG P37231 1/20 0.32
EP300 Q09472 1/20 0.31
TBXAS1 P24557 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL5086081 0.86 CD81 (0.35) CD81PPARGBACE1
SCHEMBL636455 0.83 CD81 (0.36) CD81PPARGEP300BACE1
SCHEMBL303228 0.83 CD81 (0.36) CD81PPARGEP300BACE1
SCHEMBL637549 0.82 PAOX (0.42) CD81PPARGEP300BACE1
SCHEMBL637548 0.82 PAOX (0.42) CD81PPARGEP300BACE1
SCHEMBL8735321 0.79 ADH1B (0.39) CD81PPARGBACE1
SCHEMBL246136 0.79 ALOX15 (0.42) EP300
SCHEMBL1489811 0.79 POLB (0.39) CD81
SCHEMBL3686309 0.79 ALOX15 (0.42) EP300
SCHEMBL28056545 0.79 CYP2D6 (0.38) CD81PPARG

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
EP-1136591-A1 HYDROPHILIZING AGENT FOR METALLIC MATERIAL, HYDROPHILIZING FLUID, METHOD OF HYDROPHILIZING, METALLIC MATERIAL, AND HEAT EXCHANGER NIHON PARKERIZING CO., LTD. (JP) 2001-09-26 EP disclosed