SCHEMBL28098604

SCHEMBL28098604

CC(C)=C/C(=C/C(=O)O)C(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 1/20 0.39
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 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
SCHEMBL29558259 0.77 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL25263596 0.77 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL29558956 0.77 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL7743142 0.71 HCAR2 (0.43) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL711887 0.71 KDM4E (0.38) TSHRSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL1532529 0.69 TSHR (0.50) HCAR2TSHRALDH1A1TDP1
SCHEMBL27819465 0.69 KDM4E (0.37) TSHRKDM4EATM
Ammonia Solution, Strong SCHEMBL28033219 0.69 KDM4E (0.37) TSHRKDM4EATM
SCHEMBL9709420 0.68 HCAR2 (0.41) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL58395 0.67

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-105979973-A NON-SELF-ADHERENT COATING MATERIALS 罗塞尔工业公司 2016-09-28 CN disclosed