SCHEMBL4873035

SCHEMBL4873035

C[C@@H](O)[C@H](NC(=O)C1(CCNC(=O)OC(C)(C)C)C=CC(c2ccccc2)C=C1)C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ANPEP P15144 1/20 0.35
BCHE P06276 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
MMP13 P45452 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL4873393 0.83 ANPEP (0.41) ANPEP
SCHEMBL403597 0.81 ANPEP (0.37) ANPEP
SCHEMBL4870447 0.76 ANPEP (0.38) ANPEP
SCHEMBL404531 0.75 ANPEP (0.36) ANPEP
SCHEMBL4873041 0.75 CTSS (0.38) TSHRMMP1MMP3MMP9CTSS
SCHEMBL4236730 0.74
SCHEMBL4872450 0.74 ANPEP (0.36) ANPEP
SCHEMBL403349 0.72 ANPEP (0.35) ANPEP
SCHEMBL5934160 0.68 CTSS (0.34) MMP1MMP3MMP9CTSSCTSK
SCHEMBL1095462 0.68 PPARG (0.43)

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed