SCHEMBL8712433

SCHEMBL8712433

CCC(N)COCC(=O)N(C)C(C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC)C(C)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.41
KLK1 P06870 2/20 0.41
MMP1 P03956 14/20 0.40
MMP3 P08254 5/20 0.40
MMP9 P14780 2/20 0.39
MMP2 P08253 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL6401964 0.83 MMP2 (0.40) KLKB1KLK1MMP1MMP3MMP9
SCHEMBL6319663 0.78 KLKB1 (0.40) KLKB1KLK1MMP1MMP9MMP2
SCHEMBL6324563 0.72 MMP3 (0.43) KLKB1KLK1MMP1MMP3MMP9
SCHEMBL8918072 0.72 KLKB1 (0.34) KLKB1KLK1MMP1MMP9MMP2
SCHEMBL6317679 0.70 MMP2 (0.37) KLKB1KLK1MMP9MMP2
SCHEMBL6316746 0.69 MMP1 (0.41) MMP1MMP9ADAM17
SCHEMBL6326078 0.69 S1PR1 (0.39) KLKB1KLK1MMP1MMP3MMP9
SCHEMBL6318207 0.68 KLKB1 (0.39) KLKB1KLK1MMP1MMP3MMP9
SCHEMBL6318098 0.66 MMP2 (0.36) KLKB1KLK1MMP9MMP2
SCHEMBL6320709 0.66 CYP1A2 (0.39) KLKB1KLK1MMP3MMP9MMP2

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
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed