SCHEMBL2598849

SCHEMBL2598849

C=CC1CCCC(=O)OCCCCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
FKBP4 Q02790 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL36331 0.87 CA1 (0.33) CA1CA9
Ammonia Solution, Strong SCHEMBL27885021 0.85 CA1 (0.32) CA1CA9
SCHEMBL577116 0.85
SCHEMBL311035 0.77
Butadiene SCHEMBL27851734 0.71 CA1 (0.73) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL1691329 0.71 CA1 (0.36) CA1CA9
Ethylene SCHEMBL3087966 0.70 CA1 (0.89) CA1CA9FKBP4ALDH1A1LMNA
Propene SCHEMBL28006836 0.70 CA1 (0.70) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL28229583 0.70 CA1 (0.70) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL189733 0.70 CA1 (1.00) CA1CA9FKBP4ALDH1A1LMNA

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
EP-2572243-A1 POLYMERIZABLE COMPOSITION FUJIFILM Corporation (JP) 2013-03-27 EP disclosed
WO-2011145742-A1 POLYMERIZABLE COMPOSITION FUJIFILM CORPORATION (JP) 2011-11-24 WO disclosed