SCHEMBL28224092

SCHEMBL28224092

[CH2]C(CCCC)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ALDH1A1 P00352 2/20 0.37
CA2 P00918 4/20 0.36
CA1 P00915 2/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.35
FAAH O00519 1/20 0.33
CTSK P43235 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL23703740 0.93 TSHR (0.53) TSHRCA2FAAHLMNA
SCHEMBL27962052 0.83 TSHR (0.42) TSHRALDH1A1CA2CA1MAPK1
SCHEMBL612282 0.82 TSHR (0.48) TSHRALDH1A1CA2CA1THRB
SCHEMBL1577727 0.82 TSHR (0.48) TSHRALDH1A1CA2CA1THRB
SCHEMBL28860329 0.81 TSHR (0.44) TSHRALDH1A1CA2CA1THRB
SCHEMBL31757150 0.81 TSHR (0.47) TSHRALDH1A1CA2CA1THRB
SCHEMBL1251039 0.81 TSHR (0.47) TSHRALDH1A1CA2CA1THRB
SCHEMBL441439 0.81 FAAH (0.47) TSHRALDH1A1CA2CA1THRB
SCHEMBL27854034 0.80 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL4362365 0.79 TSHR (0.43) TSHRALDH1A1THRBTDP1

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-105732883-B A kind of preparation method for the water polyacrylic acid for emitting room temperature phosphorimetry 中国科学技术大学 2018-07-03 CN disclosed