SCHEMBL28820746

SCHEMBL28820746

CC=CCNC(=O)C=CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
APEX1 P27695 1/20 0.34
TGM2 P21980 1/20 0.33
HDAC3 O15379 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SOAT1 P35610 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
SCHEMBL18828200 0.87 PPARG (0.49) PPARGPPARDPPARACNR2CNR1
SCHEMBL821820 0.86 CNR2 (0.36) PPARGPPARDPPARACNR2CNR1
SCHEMBL12783920 0.85 CNR2 (0.54) PPARGPPARDPPARACNR2CNR1
SCHEMBL12785469 0.85 CNR2 (0.50) PPARGPPARDPPARACNR2CNR1
SCHEMBL12784491 0.83 PPARG (0.38) PPARGPPARDPPARACNR2CNR1
SCHEMBL12784587 0.81 HDAC3 (0.34) PPARGPPARDPPARACNR2CNR1
SCHEMBL282534 0.81
SCHEMBL307121 0.79
SCHEMBL10499492 0.79
SCHEMBL125985 0.79

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed