SCHEMBL10026185

SCHEMBL10026185

COC(=O)NCCCCC(NC(=O)OC)C(=O)NC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.39
▸ SIRT1 Q96EB6 5/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT3 Q9NTG7 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL10167189 0.89 AKT1 (0.37) AKT1SIRT1OPRM1OPRD1OPRK1
SCHEMBL825245 0.86 EPHX1 (0.39) AKT1OPRM1OPRD1OPRK1PTGS1
SCHEMBL14542727 0.85 AKT1 (0.36) AKT1SIRT1SIRT2
SCHEMBL13499241 0.84 SIRT5 (0.43) AKT1SIRT1OPRM1OPRD1OPRK1
SCHEMBL14016183 0.84 AKT1 (0.40) AKT1SIRT1EPHX1SIRT2SIRT3
SCHEMBL11964062 0.83 AKT1 (0.42) AKT1SIRT1SIRT2SIRT3CA1
SCHEMBL14755924 0.81 AKT1 (0.41) AKT1SIRT1SIRT2SIRT3CA1
SCHEMBL327667 0.78 SIRT1 (0.36) AKT1SIRT1EPHX1SIRT2SIRT3
SCHEMBL13310414 0.78 MGLL (0.50) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13401558 0.77 SIRT1 (0.33) SIRT1EPHX1SIRT2SIRT3CA1

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-8168759-B2 Compositions monovalent for CD28 binding and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-01 — — US disclosed
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