SCHEMBL28078307

SCHEMBL28078307

C=C(CCCC)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
EPHX1 P07099 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
SCHEMBL17818504 0.94 MEN1 (0.38) CES1CES2ALDH1A1TP53
SCHEMBL8972383 0.80 CES2 (0.36) CES1CES2ALDH1A1TP53
SCHEMBL26095102 0.79 GPR84 (0.41) ALDH1A1
SCHEMBL3738395 0.78 CES1 (0.41) CA1CA2CES1CES2ALDH1A1
SCHEMBL4553797 0.74 CES2 (0.30) CES1CES2
SCHEMBL123158 0.73 CES2 (0.43) CES1CES2ALDH1A1TP53
SCHEMBL27883568 0.72 CES1 (0.42) CA1CES1CES2ALDH1A1TP53
SCHEMBL28876728 0.72 CES1 (0.42) CA1CES1CES2ALDH1A1TP53
SCHEMBL9596835 0.72 SPHK1 (0.33) CES1CES2ALDH1A1
SCHEMBL5029026 0.72 CES2 (0.45) CES1CES2ALDH1A1TP53

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
CN-105764689-A Surface protection film, method for producing surface protection film, and optical element 日东电工株式会社 2016-07-13 CN disclosed