SCHEMBL14004776

SCHEMBL14004776

CNCCC[C@@H](CNC(=O)[C@H](CCCCNC(=O)[C@@H](CCCNC)NC)NC)NC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ KISS1R Q969F8 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.34
▸ TLR2 O60603 1/20 0.33
▸ ALDH1A2 O94788 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ RRM1 P23921 1/20 0.32
▸ MMP8 P22894 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.30

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
SCHEMBL14004683 0.97 KISS1R (0.39) SIRT6SIRT1CACNA1BKISS1RFOLH1
SCHEMBL14004818 0.97 CACNA1B (0.39) SIRT6SIRT1CACNA1BKISS1RDPP7
SCHEMBL14004821 0.97 CACNA1B (0.39) SIRT6SIRT1CACNA1BKISS1RDPP7
SCHEMBL14004784 0.94 CACNA1B (0.38) SIRT6SIRT1CACNA1BKISS1RDPP7
SCHEMBL14002547 0.94 KISS1R (0.41) SIRT6SIRT1CACNA1BKISS1R
SCHEMBL14004779 0.93 CACNA1B (0.37) SIRT6SIRT1CACNA1BKISS1RDPP7
SCHEMBL14004811 0.92 CACNA1B (0.49) SIRT6SIRT1CACNA1BKISS1RMMP8
SCHEMBL14004837 0.92 DPP7 (0.48) SIRT6SIRT1CACNA1BDPP7TLR2
SCHEMBL14004788 0.90 KISS1R (0.33) SIRT6SIRT1CACNA1BKISS1R
SCHEMBL14004819 0.90 CASP2 (0.33) SIRT6SIRT1CACNA1BKISS1RALDH1A1

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SIRT6 126/4885SIRT1 276/4885CACNA1B 3579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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