SCHEMBL4051242

SCHEMBL4051242

CCCC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.33
CTSL P07711 13/20 0.33
CTSS P25774 9/20 0.33
CTSB P07858 3/20 0.33
CTSV O60911 2/20 0.33
P2RY12 Q9H244 1/20 0.32
CHRM5 P08912 1/20 0.31
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
ELANE P08246 1/20 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
SCHEMBL4042413 0.93 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043383 0.92 TAS1R3 (0.35)
SCHEMBL4047816 0.90 CTSK (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045579 0.89 HPGD (0.32)
SCHEMBL4041999 0.89 HSD17B10 (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6240769 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045249 0.88 CTSK (0.36) CTSKP2RY12ELANE
SCHEMBL4046811 0.87 CTSK (0.33) CTSKP2RY12PREPFAP
SCHEMBL4044587 0.86 CTSK (0.35) CTSKP2RY12PREPFAPELANE
SCHEMBL4045411 0.86 PREP (0.33) CTSKP2RY12PREPFAP

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