SCHEMBL20630728

SCHEMBL20630728

C=C/C=C(\C=C/C)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
LMNA P02545 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
SLC15A2 Q16348 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL22856027 0.87
SCHEMBL21757269 0.84 TSHR (0.34) TSHR
SCHEMBL24346059 0.83
SCHEMBL13176855 0.82 ALOX15 (0.33)
SCHEMBL27547653 0.82 ALOX15 (0.33)
SCHEMBL13625391 0.80
SCHEMBL14640230 0.80 ABCC4 (0.36) ABCC4MAPTEGLN1LMNAALKBH5
SCHEMBL21364645 0.79 HDAC3 (0.38) EGLN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18892535 0.78
SCHEMBL19215826 0.77

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
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed