SCHEMBL29779773

SCHEMBL29779773

CC/C=C\C[C@H](O)CCCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
OXER1 Q8TDS5 1/20 0.47
TSHR P16473 3/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FAAH O00519 2/20 0.41
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PPARG P37231 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL29779769 1.00 L3MBTL1 (0.48) L3MBTL1OXER1TSHRFFAR1FFAR4
SCHEMBL8621070 0.90 L3MBTL1 (0.52) L3MBTL1OXER1TSHRFFAR1FFAR4
SCHEMBL8944933 0.90 L3MBTL1 (0.52) L3MBTL1OXER1TSHRFFAR1FFAR4
SCHEMBL28678334 0.85 FFAR1 (0.53) L3MBTL1OXER1TSHRFFAR1FFAR4
SCHEMBL9516752 0.81 TSHR (0.50) L3MBTL1TSHRPABPC1APOBEC3AAPOBEC3G
SCHEMBL715575 0.81 FFAR1 (0.62) L3MBTL1OXER1FFAR1FFAR4FAAH
SCHEMBL9221303 0.81 FFAR1 (0.62) L3MBTL1OXER1FFAR1FFAR4FAAH
SCHEMBL715576 0.81 FFAR1 (0.62) L3MBTL1OXER1FFAR1FFAR4FAAH
SCHEMBL4854172 0.80 FFAR1 (0.66) L3MBTL1FFAR1FFAR4FAAHALDH1A1
SCHEMBL4854165 0.80 FFAR1 (0.66) L3MBTL1FFAR1FFAR4FAAHALDH1A1

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-106946823-B Method for asymmetric synthesis of (R) -natural jasminolide 北京安胜瑞力科技有限公司 2022-07-15 CN disclosed