SCHEMBL15445470

SCHEMBL15445470

CC(OCCCC(C)(C)C)OC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
PTPRC P08575 2/20 0.31
CTSK P43235 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL15445467 0.75 CYP2D6 (0.42) CYP2D6PTPRCCTSKCA1CA2
SCHEMBL8912333 0.73 CYP2D6 (0.46) CYP2D6CTSKCA1CA2CA7
SCHEMBL15445471 0.72 TSHR (0.37) PTPRC
SCHEMBL21475353 0.71 CA12 (0.40) CA1CA2
SCHEMBL21473629 0.71 CA12 (0.40) CA1CA2
SCHEMBL241533 0.70 DGAT1 (0.46) CYP2D6CA1CA2CA7
SCHEMBL9271299 0.69 ALDH1A1 (0.32)
Methyl Alcohol SCHEMBL27995686 0.68 DGAT1 (0.44) CYP2D6CA1CA2CA7
SCHEMBL12775715 0.67 EPHX2 (0.39) CYP2D6CA1CA2CA7
SCHEMBL786064 0.67 LMNA (0.30)

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-9250356-B2 Photochromic polymers VIVIMED LABS EUROPE LTD (GB) 2016-02-02 US disclosed
US-20140027684-A1 PHOTOCHROMIC POLYMERS VIVIMED LABS EUROPE LTD (GB) 2014-01-30 US disclosed