SCHEMBL29980849

SCHEMBL29980849

[2H]CC/C=C\CCOC(=O)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL573191 0.88 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL573192 0.88 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL8580784 0.88 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL19810190 0.75 CNR2 (0.44) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL19810191 0.75 CNR2 (0.44) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL19810188 0.75 CNR2 (0.44) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL18378814 0.73 MMP1 (0.46) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL16561211 0.73 PRKCA (0.37) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL5898820 0.71 ADORA3 (0.36) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL5898818 0.71 ADORA3 (0.36) NR1I2PGRADORA3PTGS2PDE4D

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-113163841-B Aerosol formulation 尼科创业贸易有限公司 2022-10-04 CN disclosed