SCHEMBL4045162

SCHEMBL4045162

CCCC(NC(=O)Oc1cc2cc(OC)ccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.34
TAS1R1 Q7RTX1 7/20 0.34
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
CTSK P43235 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
SCHEMBL4042300 0.93 CTSK (0.37) TAS1R3TAS1R1CTSK
SCHEMBL4043929 0.93 CTSV (0.32) TAS1R3TAS1R1CTSK
SCHEMBL4047816 0.92 CTSK (0.33) F2F10CTSK
SCHEMBL4043383 0.90 TAS1R3 (0.35) TAS1R3TAS1R1F2
SCHEMBL4043593 0.90 USP2 (0.33) TAS1R3TAS1R1CTSK
SCHEMBL4046844 0.88 HPGD (0.32) F2F10CTSK
SCHEMBL4049558 0.87 CTSK (0.36) F2F10CTSK
SCHEMBL4042533 0.86 CTSK (0.40) CTSK
SCHEMBL4041781 0.85 CTSK (0.39) TAS1R3TAS1R1CTSK
SCHEMBL4043869 0.84 KCNQ1 (0.37) TAS1R3TAS1R1

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