SCHEMBL4041776

SCHEMBL4041776

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSL P07711 8/20 0.37
CTSS P25774 7/20 0.37
CTSB P07858 3/20 0.37
DPP8 Q6V1X1 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CTSV O60911 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
SCHEMBL4044504 0.99 CTSK (0.48) CTSKCTSLCTSSCTSBDPP8
SCHEMBL4042551 0.91 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042518 0.90 CTSK (0.50) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043104 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4053213 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBDPP4
SCHEMBL4044989 0.89 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041942 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4051385 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4048116 0.88 CTSK (0.48) CTSKCTSLCTSSCTSB

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 claimed