Sugi Predict

Sugi Predict / Compounds / SCHEMBL8247697

SCHEMBL8247697

SCHEMBL8247697

CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.58
▸ SIRT2 Q8IXJ6 13/20 0.57
▸ SIRT1 Q96EB6 12/20 0.57
▸ SIRT3 Q9NTG7 3/20 0.57
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ KLK7 P49862 1/20 0.52
▸ KLK5 Q9Y337 1/20 0.52

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
SCHEMBL5307836 1.00 SIRT5 (0.58) SIRT5SIRT2SIRT1SIRT3CTSS
SCHEMBL8245893 1.00 SIRT5 (0.58) SIRT5SIRT2SIRT1SIRT3CTSS
SCHEMBL8246035 0.94 CTSS (0.56) SIRT5SIRT2SIRT1SIRT3CTSS
SCHEMBL5301318 0.94 CTSS (0.56) SIRT5SIRT2SIRT1SIRT3CTSS
SCHEMBL5308048 0.91 SIRT5 (0.59) SIRT5SIRT2SIRT1SIRT3
SCHEMBL8244805 0.91 SIRT5 (0.59) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17039831 0.86 SIRT5 (0.61) SIRT5SIRT2SIRT1SIRT3KLK7
SCHEMBL5333249 0.85 CTSL (0.56) SIRT5SIRT2SIRT1SIRT3CTSK
SCHEMBL8247728 0.85 CTSL (0.56) SIRT5SIRT2SIRT1SIRT3CTSK
SCHEMBL4857149 0.85 MAPT (0.58) SIRT2SIRT1SIRT3CTSSCTSK

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-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — WO disclosed