Propene

Propene

SCHEMBL9979271

C=CC.O=C(O)C(CS)NS

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 1/20 0.46
FOLH1 Q04609 3/20 0.39
TGFBR1 P36897 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ENPEP Q07075 4/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL3456469 0.87
SCHEMBL3456466 0.87
SCHEMBL2588998 0.87
Methane SCHEMBL28262578 0.84
Butane SCHEMBL9042138 0.83 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL747873 0.75 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL747872 0.75 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4417223 0.75 MAPT (0.45) KDM4EMAPTTHRBALOX15NFKB1
Acetic Acid SCHEMBL21359017 0.75 MAPT (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23552453 0.74 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575502-A2 COMPOSITIONS OF NUTRITION SUPPLEMENTATION FOR NUTRITIONAL DEFICIENCIES AND METHOD OF USE THEREFORE Hibbert, Jacqueline M. (US) 2013-04-10 EP disclosed
WO-2011149713-A2 COMPOSITIONS OF NUTRITION SUPPLEMENTATION FOR NUTRITIONAL DEFICIENCIES AND METHOD OF USE THEREFORE MOREHOUSE SCHOOL OF MEDICINE (US) 2011-12-01 WO disclosed