SCHEMBL16408401

SCHEMBL16408401

CCCCCCCCCCCC(=O)NCC(NC(=O)CCCCCCCCCCC)C(=O)NC(CCCCNC(=O)COCCOCCNC(=S)Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.40
▸ CCKAR P32238 4/20 0.40
▸ CCKBR P32239 4/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ YWHAZ P63104 3/20 0.38
▸ TSG101 Q99816 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ TTR P02766 1/20 0.38

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
SCHEMBL29321824 0.75 ALB (0.52) CCKARCCKBRYWHAZALB
SCHEMBL4885766 0.72 FTO (0.47) —
SCHEMBL15778575 0.72 FTO (0.47) —
SCHEMBL16406473 0.72 GLP1R (0.58) GLP1RCCKARCCKBR
SCHEMBL25711649 0.67 NAALAD2 (0.60) NAALAD2ALBTTR
SCHEMBL16408402 0.66 FOLH1 (0.58) GLP1R
SCHEMBL12972444 0.66 GLP1R (0.57) GLP1RCCKARCCKBRALB
SCHEMBL13748088 0.66 ESR1 (0.45) NAALAD2TSG101ALB
SCHEMBL29936655 0.65 TTR (0.60) NAALAD2TTR
SCHEMBL14438806 0.64 GLP1R (0.70) GLP1RCCKARCCKBR

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-9827552-B2 Functionalized lipid modification of solid phase surfaces for use in chromatography CLEMSON UNIVERSITY (US) 2017-11-28 — — US disclosed
US-20150024511-A1 FUNCTIONALIZED LIPID MODIFICATION OF SOLID PHASE SURFACES FOR USE IN CHROMATOGRAPHY NATIONAL SCIENCE FOUNDATION 2015-01-22 — — US disclosed
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