SCHEMBL7339140

SCHEMBL7339140

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#Cc2ccc3cc(C(=N)N)ccc3c2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.51
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
ACE P12821 1/20 0.48
ASIC3 Q9UHC3 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48
PTPN1 P18031 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 1/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 2/20 0.46

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
Trifluoroacetic Acid SCHEMBL7344968 0.97 ITGB3 (0.51) PLAUITGB3ITGA2BACEASIC3
SCHEMBL7344973 0.87 PLAU (0.45) PLAUITGB3ITGA2BASIC3ITGB1
SCHEMBL7394806 0.85 ACE (0.58) ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL7394803 0.85 ACE (0.58) ITGB3ITGA2BACEITGB1ITGAV
Iodide SCHEMBL7301004 0.84 ACE (0.57) ITGB3ITGA2BACEITGB1ITGAV
Hydrochloric Acid SCHEMBL5671540 0.84 ACE (0.57) ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL7339150 0.81 ITGB3 (0.49) ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL27231128 0.80 ACE (0.64) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL19174463 0.78 ITGB3 (0.60) ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL21683121 0.78 ACE (0.60) ITGB3ITGA2BACEITGB1ITGAV

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-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed