SCHEMBL4569677

SCHEMBL4569677

CCC(=O)N(CCSCCC(=O)NCCCCC(NC(=O)CCSCCN(CCN(CCN(C)C(C)=O)C(C)=O)C(=O)CC)C(=O)NCCCCCNC(=O)C(CCCCNC(=O)CCSCCN(CCN(CCN(C)C(C)=O)C(C)=O)C(=O)CC)NC(=O)CCSCCN(CCN(CCN(C)C(C)=O)C(C)=O)C(=O)CC)CCN(CCN(C)C(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.37
TLR2 O60603 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
NOD1 Q9Y239 2/20 0.35
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
LPAR3 Q9UBY5 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALB P02768 2/20 0.32

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
SCHEMBL9290021 0.93 TLR2 (0.35) GLP1RTLR2SIRT6SIRT1SIRT2
SCHEMBL4569673 0.92 NOD1 (0.40) GLP1RNOD1ALB
SCHEMBL10050321 0.92 NOD1 (0.40) GLP1RNOD1ALB
SCHEMBL4569674 0.83 ALB (0.31) ALB
SCHEMBL4569676 0.72 ALDH1A1 (0.41)
SCHEMBL15085165 0.66 GLP1R (0.64) GLP1RTLR2SIRT6SIRT1SIRT2
SCHEMBL12601734 0.66 ALDH1A1 (0.38)
SCHEMBL29722567 0.66 FOLH1 (0.47)
SCHEMBL21310054 0.66 SIRT6 (0.56) GLP1RTLR2SIRT6SIRT1SIRT2
SCHEMBL12601732 0.66 ALDH1A1 (0.35)

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-20120123055-A1 Multifunctional Forms of Polyoxazoline Copolymers and Drug Compositions Comprising the Same SERINA THERAPEUTICS, INC. (US) 2012-05-17 US disclosed