SCHEMBL17325767

SCHEMBL17325767

NCCCCCCNC(=O)C(CCCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ NMT2 O60551 2/20 0.47
▸ NMT1 P30419 2/20 0.47
▸ CHRND Q07001 6/20 0.46
▸ CHRNA1 P02708 2/20 0.46
▸ CHRNG P07510 2/20 0.46
▸ CHRNB1 P11230 2/20 0.46
▸ ROCK2 O75116 2/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ AKT3 Q9Y243 1/20 0.45
▸ TLR2 O60603 1/20 0.44
▸ GRIA1 P42261 4/20 0.44

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
SCHEMBL254293 1.00 SIRT6 (0.48) SIRT6SIRT1NMT2NMT1CHRND
SCHEMBL20752792 0.91 NMT1 (0.41) SIRT6SIRT1NMT2NMT1CHRND
SCHEMBL19982268 0.90 NMT2 (0.40) SIRT6SIRT1NMT2NMT1CHRND
SCHEMBL14704041 0.90 ROCK2 (0.41) SIRT6SIRT1NMT2NMT1CHRND
SCHEMBL12284049 0.89 GLP1R (0.39) SIRT6SIRT1NMT2NMT1ROCK2
SCHEMBL18893551 0.86 SIRT6 (0.50) SIRT6SIRT1TLR2
SCHEMBL16152402 0.86 GLP1R (0.41) NMT2NMT1ROCK2PRKACAAKT3
SCHEMBL25062575 0.86 SIRT6 (0.53) SIRT6SIRT1NMT2NMT1CHRND
SCHEMBL19429720 0.85 ALB (0.47) ROCK2PRKACAAKT3TLR2
SCHEMBL25062576 0.85 NMT1 (0.48) SIRT6SIRT1NMT2NMT1ROCK2

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-2015188110-A1 REVERSIBLE PEGYLATION FOR SCREEING OF THERAPEUTIC PROTEINS IN VIVO THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-10 — — WO disclosed
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