SCHEMBL4041529

SCHEMBL4041529

Cc1c(OC(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.47
CTSL P07711 9/20 0.42
CTSS P25774 5/20 0.42
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSB P07858 4/20 0.34
CTSV O60911 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4042558 0.92 CTSK (0.39) CTSKCTSLCTSSALDH1A1CTSV
SCHEMBL4050441 0.92 CTSK (0.39) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL4050878 0.89 CTSK (0.38) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4049252 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6237263 0.88 CTSK (0.52) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4048016 0.86 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045412 0.85 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042095 0.84 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050081 0.84 CTSK (0.42) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4045548 0.83 CTSK (0.51) CTSKCTSLCTSSKDM4EALDH1A1

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
WO-2009103735-A1 COMPOSITION CONTAINING AN AMPHOLYTIC COPOLYMER ON THE BASIS OF QUATERNISED MONOMERS CONTAINING NITROGEN AND AT LEAST ONE POLYMER THAT DIFFERS FROM SAID COPOLYMER, AND USE THEREOF BASF SE (DE) 2009-08-27 WO disclosed