SCHEMBL11259385

SCHEMBL11259385

C=CCOC(=O)OC1CCCC(C)(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1286334 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4063062 0.83 EPHX1 (0.32)
SCHEMBL6896221 0.83
SCHEMBL6896314 0.81
SCHEMBL11691708 0.80
SCHEMBL5585618 0.80 TSHR (0.31)
SCHEMBL2124430 0.79 EPHX2 (0.32)
SCHEMBL6897357 0.79
SCHEMBL11690627 0.79
SCHEMBL11488966 0.77

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-0013663-B1 PROCESS FOR REMOVING AN ALLYLIC GROUP FROM ALLYLIC ESTERS, CARBONATES AND CARBAMATES SCHERING CORPORATION (US) 1982-11-17 EP disclosed
EP-0013663-A1 Process for removing an allylic group from allylic esters, carbonates and carbamates SCHERING CORPORATION (US) 1980-07-23 EP disclosed