Sugi Predict

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SCHEMBL5333249

SCHEMBL5333249

CC(C)(C)OC(=O)NCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.56
▸ CTSK P43235 7/20 0.56
▸ CTSB P07858 6/20 0.56
▸ SIRT5 Q9NXA8 3/20 0.53
▸ SIRT2 Q8IXJ6 8/20 0.53
▸ SIRT1 Q96EB6 7/20 0.53
▸ SIRT3 Q9NTG7 3/20 0.53
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51

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
SCHEMBL8247728 1.00 CTSL (0.56) CTSLCTSKCTSBSIRT5SIRT2
SCHEMBL5308048 0.86 SIRT5 (0.59) SIRT5SIRT2SIRT1SIRT3
SCHEMBL8244805 0.86 SIRT5 (0.59) SIRT5SIRT2SIRT1SIRT3
SCHEMBL8247697 0.85 SIRT5 (0.58) CTSKSIRT5SIRT2SIRT1SIRT3
SCHEMBL8245893 0.85 SIRT5 (0.58) CTSKSIRT5SIRT2SIRT1SIRT3
SCHEMBL5307836 0.85 SIRT5 (0.58) CTSKSIRT5SIRT2SIRT1SIRT3
SCHEMBL6766563 0.82 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL13598866 0.82 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL17039831 0.81 SIRT5 (0.61) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17039813 0.80 SIRT2 (0.59) SIRT5SIRT2SIRT1SIRT3

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 claimed