SCHEMBL16638647

SCHEMBL16638647

CNC(=O)CCN(CCC(C)=O)CCN(CCC(=O)NC)CCC(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.38
PAOX Q6QHF9 2/20 0.34
ICMT O60725 1/20 0.33
ALB P02768 1/20 0.33
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32
SLC15A2 Q16348 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM7A Q6ZMT4 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL16638618 1.00 LMNA (0.41) LMNAALDH1A1PAOXICMTALB
SCHEMBL12791503 0.91 LMNA (0.48) LMNAALDH1A1ICMTALBPOLB
SCHEMBL12791476 0.91 LMNA (0.48) LMNAALDH1A1ICMTALBPOLB
SCHEMBL16638616 0.91 PAOX (0.40) LMNAALDH1A1PAOX
SCHEMBL16638622 0.88 PAOX (0.38) LMNAPAOX
SCHEMBL16638635 0.87 PAOX (0.40) LMNAALDH1A1PAOX
SCHEMBL16638632 0.86 PAOX (0.37) LMNAPAOX
SCHEMBL16638633 0.85 PAOX (0.39) LMNAALDH1A1PAOX
SCHEMBL17433024 0.85 PAOX (0.40) LMNAPAOXICMTALB
SCHEMBL17433013 0.85 TERT (0.35) LMNAPAOXICMTALB

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-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed