SCHEMBL7900580

SCHEMBL7900580

CCC(CC)c1cccc(C[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.46
ITGB3 P05106 3/20 0.45
SYK P43405 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 2/20 0.44
CTSL P07711 3/20 0.43
MME P08473 2/20 0.43
ECE1 P42892 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CTSK P43235 2/20 0.43
CAPN1 P07384 1/20 0.43
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
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 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
SCHEMBL7257298 0.95 SYK (0.45) SYKCTSLCTSKBCHEACHE
SCHEMBL7898976 0.87 ACE (0.48) ACEITGB3ITGAVITGA2BCTSL
SCHEMBL7900358 0.85 ACE (0.47) ACEITGB3ITGAVITGA2BCTSL
SCHEMBL7258213 0.84 HDAC3 (0.46) ACECTSLMMECPA1ACE2
SCHEMBL7900674 0.83 ACE (0.46) ACEITGB3ITGAVITGA2BCTSL
SCHEMBL4958111 0.83 MME (0.55) ACESYKCTSLMMEECE1
SCHEMBL5972669 0.83 MME (0.55) ACESYKCTSLMMEECE1
SCHEMBL7901941 0.82 ACE (0.46) ACEITGB3ITGAVITGA2BCTSL
SCHEMBL7262105 0.82 TACR1 (0.45) ACESYKCTSLCTSKBCHE
SCHEMBL7408456 0.82 CTSK (0.49) SYKCTSLCTSKBCHEACHE

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 2 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