SCHEMBL3680117

SCHEMBL3680117

C/C(=C\CCCCBr)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
TBXAS1 P24557 3/20 0.38
CD81 P60033 2/20 0.38
BACE1 P56817 1/20 0.35
PPARG P37231 1/20 0.33
TRPA1 O75762 1/20 0.32
BBOX1 O75936 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
SCHEMBL982294 1.00 EP300 (0.42) EP300TBXAS1CD81BACE1PPARG
SCHEMBL8624377 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL8620371 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL9133546 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL8624369 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL9130972 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL9133542 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL9130970 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL8620367 0.98 EP300 (0.45) EP300TBXAS1CD81BACE1PPARG
SCHEMBL2008694 0.93 EP300 (0.39) EP300TBXAS1CD81BACE1PPARG

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-1889857-B1 NOVEL PACKING MATERIAL WITH EXCELLENT HYDROPHILICITY AND PROCESS FOR PRODUCING THE SAME TOSOH CORP (JP) 2010-07-21 EP claimed