SCHEMBL28071488

SCHEMBL28071488

C=C(C(=O)OC)C1CCCCC1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
EPHX1 P07099 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL27169404 0.96 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27695287 0.81 EPHX1 (0.48) ALDH1A1CA1CA2CA4EPHX1
SCHEMBL28028504 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL262052 0.75 CHRM2 (0.43) CA1CA2CA4
SCHEMBL10389540 0.75 CHRM2 (0.43) CA1CA2CA4
SCHEMBL12948024 0.75 CHRM2 (0.43) CA1CA2CA4
SCHEMBL9176572 0.75 GSR (0.32) CA1CA2CA4EPHX1
SCHEMBL27265137 0.75 CHRM2 (0.43) CA1CA2CA4
SCHEMBL613516 0.75 ALDH1A1 (0.42) ALDH1A1NPSR1
SCHEMBL10389542 0.75 CHRM2 (0.43) CA1CA2CA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563374-A The manufacturing method of coating composition dispersion, aqueous composite particle dispersion and aqueous composite particle dispersion 旭化成株式会社 2019-04-02 CN disclosed
CN-109564797-A Film touch sensor and works including the film touch sensor 东友精细化工有限公司 2019-04-02 CN disclosed
CN-105873960-B Aqueous composite particle dispersion 旭化成株式会社 2018-07-24 CN disclosed
CN-105873960-A Aqueous composite particle dispersion 旭化成株式会社 2016-08-17 CN disclosed
CN-103958181-B Photocatalyst structure 日本曹达株式会社 2016-06-15 CN disclosed