SCHEMBL11339485

SCHEMBL11339485

C=CCOCC(COC(=O)C(C)C)OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
TSHR P16473 3/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRKCA P17252 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
SCHEMBL2402152 0.82 ALDH1A1 (0.38) ALDH1A1LMNAPRKCA
SCHEMBL16248443 0.79 CA1 (0.52) TDP1CA1CA2CA7TSHR
SCHEMBL10956519 0.78 TDP1 (0.41) TDP1CA1CA2CA7TSHR
SCHEMBL1830477 0.78 TDP1 (0.41) TDP1CA1CA2CA7TSHR
SCHEMBL16001973 0.77 CA1 (0.42) TDP1CA1CA2CA7TSHR
SCHEMBL1577771 0.76 CA1 (0.39) TDP1CA1CA2CA7TSHR
SCHEMBL12268168 0.75 TSHR (0.47) TDP1CA1CA2CA7TSHR
SCHEMBL6141545 0.74 PRKCA (0.37) ALDH1A1LMNAPRKCA
SCHEMBL6338030 0.74 TSHR (0.47) TDP1CA1CA2CA7TSHR
Acetaldehyde SCHEMBL11121419 0.74 TDP1 (0.38) TDP1CA1CA2CA7ALDH1A1

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
US-4281093-A Catalyst compositions and their use in the preparation of release coatings IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-28 US disclosed
EP-0015346-A1 Catalyst compositions and their use in the preparation of release coatings IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP disclosed