SCHEMBL13019263

SCHEMBL13019263

CC(=O)N/C=C\CCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.41
SLC6A5 Q9Y345 3/20 0.36
SOAT1 P35610 2/20 0.31
CYP1A2 P05177 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
HDAC3 O15379 1/20 0.30
GABBR2 O75899 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 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
SCHEMBL11146490 0.81 F7 (0.44) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL5802360 0.79 TERT (0.47) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL8610254 0.79 TERT (0.47) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL11107958 0.78
SCHEMBL5806119 0.78 TERT (0.50) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL19435781 0.78 TERT (0.50) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL19435726 0.78 CNR1 (0.35) SOAT1CYP1A2FAAHTP53CYP2C19
SCHEMBL5806115 0.78 TERT (0.50) SOAT1CYP1A2KMT2AMEN1FAAH
SCHEMBL19435746 0.78 CNR1 (0.35) SOAT1CYP1A2FAAHTP53CYP2C19
SCHEMBL19435756 0.78 TERT (0.50) SOAT1CYP1A2KMT2AMEN1FAAH

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
US-7858388-B2 MS based peptide and protein sequencing via reactions of lysine residues with peroxycarbonate compounds VANDERBILT UNIVERSITY (US) 2010-12-28 US disclosed
US-7858388-B2 MS based peptide and protein sequencing via reactions of lysine residues with peroxycarbonate compounds VANDERBILT UNIVERSITY (US) 2010-12-28 US disclosed