SCHEMBL9608921

SCHEMBL9608921

CC(C)(C)OC(=O)NC1CCCCN(CC(N)=O)C1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.60
F2 P00734 1/20 0.60
PRSS1 P07477 1/20 0.60
MMP1 P03956 6/20 0.43
MMP3 P08254 6/20 0.43
CASP3 P42574 1/20 0.42
GAA P10253 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
SRC P12931 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL4760677 0.91 F2 (0.55) F10F2PRSS1GAA
SCHEMBL14277255 0.91 F2 (0.55) F10F2PRSS1GAA
SCHEMBL3724402 0.89 F2 (0.56) F10F2PRSS1MMP1MMP3
SCHEMBL5640985 0.89 F2 (0.56) F10F2PRSS1MMP1MMP3
SCHEMBL9611950 0.89 F2 (0.52) F10F2PRSS1MMP1MMP3
SCHEMBL12525646 0.88 MMP1 (0.55) F10F2PRSS1MMP1MMP3
SCHEMBL12494289 0.88 MMP1 (0.55) F10F2PRSS1MMP1MMP3
SCHEMBL6984269 0.87 F10 (0.54) F10F2PRSS1MMP1MMP3
SCHEMBL21165916 0.86 F2 (0.53) F10F2PRSS1MMP1MMP3
SCHEMBL6982747 0.85 F10 (0.57) F10F2PRSS1

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
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed