SCHEMBL4044908

SCHEMBL4044908

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3OC(=O)OCC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.58
CTSS P25774 2/20 0.41
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL4045325 0.92 CTSK (0.69) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4043041 0.89 CTSK (0.64) CTSKCTSSPOLBCCR1TAS1R3
SCHEMBL4043121 0.89 CTSK (0.56) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4045496 0.89 CTSK (0.60) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4050211 0.88 CTSK (0.69) CTSKCTSSPOLBCCR1TAS1R3
SCHEMBL4045558 0.88 CTSK (0.56) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4041651 0.87 CTSK (0.55) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4045165 0.86 CTSK (0.61) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4047452 0.85 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4043531 0.85 CTSK (0.62) CTSKCTSSCTSL

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