SCHEMBL4046811

SCHEMBL4046811

CCCC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
POLB P06746 2/20 0.30
KDM4E B2RXH2 2/20 0.30
P2RY12 Q9H244 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4045316 0.92 CTSK (0.40) CTSKMEN1KMT2A
SCHEMBL4046418 0.89 CTSK (0.33) CTSKPREPFAP
SCHEMBL4046913 0.88 HSD17B10 (0.38) CTSKPREPFAPKDM4EALDH1A1
SCHEMBL4048544 0.88 P2RY12 (0.32) CTSKPREPFAPP2RY12
SCHEMBL4044695 0.87 CTSK (0.36) CTSKP2RY12
SCHEMBL4051242 0.87 CTSK (0.33) CTSKPREPFAPP2RY12
SCHEMBL4047785 0.85 CTSK (0.32) CTSKPREPFAP
SCHEMBL4045249 0.85 CTSK (0.36) CTSKP2RY12
SCHEMBL4044283 0.84 CTSK (0.45) CTSK
SCHEMBL4043383 0.84 TAS1R3 (0.35) ALDH1A1

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