SCHEMBL20439410

SCHEMBL20439410

CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.49
NMT2 O60551 2/20 0.48
NMT1 P30419 2/20 0.48
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
TFPI P10646 1/20 0.46
SIRT5 Q9NXA8 3/20 0.45
IL23R Q5VWK5 3/20 0.42
NPY4R P50391 5/20 0.42
NPY1R P25929 4/20 0.42
NPY2R P49146 4/20 0.42
NPY5R Q15761 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
FURIN P09958 1/20 0.42
PCSK6 P29122 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL20439438 0.99 TLR2 (0.48) TLR2NMT2NMT1SIRT6SIRT1
SCHEMBL16189767 0.99 TLR2 (0.48) TLR2NMT2NMT1SIRT6SIRT1
SCHEMBL20439464 0.94 SIRT5 (0.51) TLR2NMT2NMT1SIRT6SIRT1
Cn-105 SCHEMBL16189774 0.94 SIRT5 (0.47) TLR2NMT2NMT1TFPISIRT5
Cn-105 SCHEMBL20439448 0.94 SIRT5 (0.47) TLR2NMT2NMT1TFPISIRT5
SCHEMBL20439409 0.93 NMT1 (0.48) TLR2NMT2NMT1SIRT6SIRT1
SCHEMBL16189768 0.92 NMT2 (0.46) TLR2NMT2NMT1SIRT6SIRT1
SCHEMBL20439451 0.91 SIRT6 (0.46) TLR2NMT2NMT1SIRT6SIRT1
SCHEMBL19558265 0.87 FURIN (0.55) SIRT6SIRT1TFPISIRT5NPY4R
SCHEMBL15896438 0.87 FURIN (0.55) SIRT6SIRT1TFPISIRT5NPY4R

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
WO-2018140563-A1 USE OF APOE MIMETIC PEPTIDES FOR REDUCING THE LIKELIHOOD OF EPILEPTOGENESIS DUKE UNIVERSITY (US) 2018-08-02 WO disclosed