Propene

Propene

SCHEMBL11059624

C=CC.CN(c1ccccc1)c1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
S1PR4 O95977 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CHKA P35790 4/20 0.44
NR3C2 P08235 1/20 0.44
HTT P42858 1/20 0.42
GFER P55789 1/20 0.40
RELA Q04206 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31886 0.86 MEN1 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL22931682 0.86 MEN1 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL6567354 0.86 MEN1 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
Benzene SCHEMBL14537401 0.86 MEN1 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL20385081 0.86 MEN1 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPK1
Water SCHEMBL10955435 0.83 CHKA (0.50) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL7155149 0.83 NR3C2 (0.56) SMN1; SMN2MEN1KMT2ALMNAMAPK1
Hydrochloric Acid SCHEMBL1764754 0.83 CHKA (0.50) SMN1; SMN2MEN1KMT2ALMNAMAPK1
Water SCHEMBL10783463 0.83 CHKA (0.50) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL6970154 0.83 CHKA (0.50) SMN1; SMN2MEN1KMT2ALMNAMAPK1

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
US-4481373-A CATALYTIC OXIDATION OF OLEFINS IN PRESENCE OF TERTIARY AMINE OF AMIDE TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1984-11-06 US disclosed