SCHEMBL28626113

SCHEMBL28626113

COC(=O)C(C)=COCCOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
GALR3 O60755 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9352323 0.85 THRB (0.31) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28510912 0.84 ALDH1A1 (0.34) ALDH1A1TSHRSMN1; SMN2GAAL3MBTL1
SCHEMBL27621039 0.84 THRB (0.49) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL898881 0.80 ALDH1A1 (0.34) ALDH1A1TSHRSMN1; SMN2GAAL3MBTL1
SCHEMBL8943006 0.79 KDM4E (0.31) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL866870 0.78 MEN1 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL628622 0.78 MEN1 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL9357157 0.78 MEN1 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL6268813 0.78 MEN1 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E
SCHEMBL898905 0.78 MEN1 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1KDM4E

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-110078948-B Pottery pot-shaped polymer microsphere with pH responsiveness and preparation method thereof 西北师范大学 2021-09-24 CN disclosed