SCHEMBL4044587

SCHEMBL4044587

CCCC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
UTS2R Q9UKP6 1/20 0.34
P2RY12 Q9H244 1/20 0.33
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
ELANE P08246 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL4049257 0.92 CTSK (0.41) CTSKUTS2R
SCHEMBL4040945 0.90 CTSK (0.31) CTSK
SCHEMBL4050225 0.90 CTSK (0.35) CTSKUTS2RPREPFAPELANE
SCHEMBL4045249 0.89 CTSK (0.36) CTSKP2RY12ELANE
SCHEMBL4051650 0.88 HSD17B10 (0.36) CTSKPREPFAP
SCHEMBL4046677 0.88 CTSK (0.34) CTSKP2RY12
SCHEMBL4044695 0.86 CTSK (0.36) CTSKP2RY12
SCHEMBL4051242 0.86 CTSK (0.33) CTSKP2RY12PREPFAPELANE
SCHEMBL4049444 0.85 PREP (0.33) CTSKP2RY12PREPFAPELANE
SCHEMBL4043984 0.85 CTSK (0.39) CTSK

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed