SCHEMBL4040232

SCHEMBL4040232

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.48
CTSS P25774 5/20 0.37
CTSL P07711 6/20 0.37
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 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
SCHEMBL4043033 0.98 CTSK (0.48) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4051326 0.89 CTSK (0.49) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4038861 0.88 CTSK (0.53) CTSKCTSSCTSBMEN1KMT2A
SCHEMBL4051385 0.88 CTSK (0.49) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4042442 0.87 CTSK (0.49) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4049584 0.86 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4042758 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4046545 0.86 CTSK (0.47) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4048273 0.86 CTSK (0.48) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4042239 0.86 CTSK (0.49) CTSKCTSSCTSLCTSBMEN1

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-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed