SCHEMBL6287948

SCHEMBL6287948

CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CCCCN)NC(C)=O)cc2)c2ccc(NC(=O)[C@H](CCCCN)NC(C)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
KLKB1 P03952 1/20 0.48
PDF Q9HBH1 1/20 0.48
PLG P00747 1/20 0.46
CPA1 P15085 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
TSHR P16473 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
Hydrochloric Acid SCHEMBL6290964 0.86 KLKB1 (0.45) CA1CA2KLKB1PDFPLG
Hydrochloric Acid SCHEMBL6291010 0.85 CALCRL (0.50) CA1CA2KLKB1PDFPLG
Hydrochloric Acid SCHEMBL6287855 0.85 CALCRL (0.50) CA1CA2KLKB1PDFPLG
Hydrochloric Acid SCHEMBL6287982 0.84 ROCK2 (0.45) CA1CA2SIRT6SIRT1KLKB1
Hydrochloric Acid SCHEMBL6285953 0.84 PLG (0.46) CA1CA2KLKB1PDFPLG
SCHEMBL7208633 0.83 HDAC4 (0.53) CA1CA2KLKB1PDFPLG
SCHEMBL7210563 0.83 HDAC4 (0.53) CA1CA2KLKB1PDFPLG
SCHEMBL21726052 0.83 CA1 (0.51) CA1CA2SIRT6SIRT1KLKB1
SCHEMBL21527195 0.83 CA1 (0.54) CA1CA2SIRT6SIRT1PDF
SCHEMBL20303610 0.83 PDF (0.69) CA1CA2SIRT6SIRT1KLKB1

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed