SCHEMBL4221900

SCHEMBL4221900

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.78
CTSS P25774 3/20 0.59
HPGDS O60760 1/20 0.40
CCR1 P32246 1/20 0.40
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
ACKR3 P25106 2/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36

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
SCHEMBL4221898 1.00 CTSK (0.78) CTSKCTSSHPGDSCCR1CTSV
SCHEMBL5941681 1.00 CTSK (0.78) CTSKCTSSHPGDSCCR1CTSV
SCHEMBL4221901 1.00 CTSK (0.78) CTSKCTSSHPGDSCCR1CTSV
SCHEMBL4042499 0.88 CTSK (0.74) CTSKCTSSCCR1
SCHEMBL4039102 0.88 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5941421 0.88 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4210236 0.88 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4210233 0.88 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4044153 0.87 CTSK (0.70) CTSKCTSSHPGDSCCR1CTSV
SCHEMBL8349299 0.87 CTSK (0.70) CTSKCTSSHPGDSCCR1CTSV

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 disclosed