SCHEMBL7900674

SCHEMBL7900674

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 2/20 0.46
MME P08473 2/20 0.45
ECE1 P42892 2/20 0.45
CTSL P07711 3/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP9 P55211 1/20 0.43
ITGAV P06756 1/20 0.43
PPARA Q07869 1/20 0.43
CAPN1 P07384 1/20 0.43
TYR P14679 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
PSMB5 P28074 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42

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
SCHEMBL7257429 0.95 CTSL (0.43) ACECTSLCTSBCTSSCASP1
SCHEMBL7901941 0.89 ACE (0.46) ACEITGB3ITGA2BMMEECE1
SCHEMBL7898976 0.87 ACE (0.48) ACEITGB3ITGA2BMMEECE1
SCHEMBL7904134 0.86 ACE (0.45) ACEITGB3ITGA2BMMEECE1
SCHEMBL7900190 0.85 FOLH1 (0.41) ACEITGB3ITGA2BMMECTSB
SCHEMBL7262977 0.84 PTPN1 (0.43) ACECTSLCTSBCTSSCASP1
SCHEMBL7900358 0.84 ACE (0.47) ACEITGB3ITGA2BMMEECE1
SCHEMBL7900580 0.83 ACE (0.46) ACEITGB3ITGA2BMMEECE1
SCHEMBL5972669 0.83 MME (0.55) ACEMMEECE1CTSLCTSB
SCHEMBL4958111 0.83 MME (0.55) ACEMMEECE1CTSLCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed