SCHEMBL15327797

SCHEMBL15327797

CC(C)(CC(=O)O[C@H]1CCOC1)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
PDE4D Q08499 1/20 0.31
ADAM10 O14672 2/20 0.30
MMP1 P03956 2/20 0.30
MMP2 P08253 2/20 0.30
MMP3 P08254 2/20 0.30
MMP9 P14780 2/20 0.30

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
SCHEMBL8230175 0.72 PDE4D (0.38) CTSLPDE4D
SCHEMBL13351589 0.72 PDE4D (0.38) CTSLPDE4D
SCHEMBL13351557 0.72 PDE4D (0.38) CTSLPDE4D
SCHEMBL25946312 0.70 CCNE1 (0.35) CTSLPDE4D
SCHEMBL31629517 0.70 CCNE1 (0.35) CTSLPDE4D
SCHEMBL7109527 0.69 TSHR (0.40)
SCHEMBL29830733 0.69 PDE4D (0.45) PDE4D
SCHEMBL25394555 0.69 CTSL (0.38) CTSLPDE4D
SCHEMBL3839876 0.69 CTSL (0.38) CTSLPDE4D
SCHEMBL3999275 0.69 CTSL (0.38) CTSLPDE4D

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-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed