SCHEMBL4045599

SCHEMBL4045599

CC(C)CC(NC(=O)Oc1ccc2c(c1)OCO2)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.39
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 1/20 0.34
CTSL P07711 10/20 0.34
CTSS P25774 6/20 0.34
CTSB P07858 3/20 0.34
CTSV O60911 2/20 0.34
ELANE P08246 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
SCHEMBL4048179 0.93 TSHR (0.36) LMNATSHRSMN1; SMN2MCHR1ELANE
SCHEMBL4045230 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051956 0.90 CTSK (0.41) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4045311 0.88 CTSK (0.43) CTSKSMN1; SMN2KMT2ACTSLCTSS
SCHEMBL4050724 0.88 CTSK (0.39) CTSKLMNATSHRSMN1; SMN2CTSL
SCHEMBL4050939 0.88 CTSK (0.37) CTSKTSHRKMT2ACTSLCTSS
SCHEMBL4041598 0.87 CTSK (0.40) CTSKKMT2ACTSLCTSSCTSB
SCHEMBL4045340 0.86 CTSK (0.40) CTSKSMN1; SMN2KMT2ACTSLCTSS
SCHEMBL4043147 0.85 CTSK (0.40) CTSKSMN1; SMN2KMT2ACTSLCTSS
SCHEMBL4043401 0.84 CTSK (0.47) CTSKLMNATSHRSMN1; SMN2CTSL

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