SCHEMBL16977136

SCHEMBL16977136

NC1CCCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.56
PTGIR P43119 9/20 0.53
ACHE P22303 2/20 0.47
TBXAS1 P24557 1/20 0.46
PTGDR Q13258 4/20 0.43
PTGER2 P43116 1/20 0.42

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
SCHEMBL1838402 0.96 PTGIR (0.56) PTGDR2PTGIRACHETBXAS1
SCHEMBL1838407 0.96 PTGIR (0.56) PTGDR2PTGIRACHETBXAS1
SCHEMBL10465049 0.85 ACHE (0.48) PTGDR2PTGIRACHETBXAS1
SCHEMBL14120749 0.83 ACHE (0.45) PTGDR2PTGIRACHE
SCHEMBL16977037 0.81 PTGDR2 (0.55) PTGDR2PTGIRACHETBXAS1PTGDR
SCHEMBL8858726 0.80 PTGIR (0.56) PTGDR2PTGIRTBXAS1
SCHEMBL1841769 0.79 ACHE (0.46) PTGDR2PTGIRACHE
SCHEMBL1845899 0.79 ACHE (0.46) PTGDR2PTGIRACHE
SCHEMBL9050868 0.79 PTGIR (0.64) PTGDR2PTGIRTBXAS1
Hydrochloric Acid SCHEMBL1845895 0.78 ACHE (0.47) PTGDR2PTGIRACHE

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-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed