SCHEMBL4044312

SCHEMBL4044312

CC(C)CC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
HCRTR2 O43614 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
CLK1 P49759 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNQ1 P51787 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 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
SCHEMBL4051650 0.92 HSD17B10 (0.36) CTSKHCRTR2HSD17B10SMN1; SMN2LMNA
SCHEMBL4041872 0.90 CTSK (0.38) CTSKHCRTR2HSD17B10MMP1MMP3
SCHEMBL4041363 0.90 CTSK (0.42) CTSKUTS2RMMP1MMP3MMP9
SCHEMBL4042904 0.90 CTSK (0.39) CTSKMMP1MMP3MMP9TAS1R3
SCHEMBL4040677 0.89 CTSK (0.41) CTSKHCRTR2HSD17B10MMP1MMP3
SCHEMBL4049257 0.88 CTSK (0.41) CTSKUTS2RTAS1R3TAS1R1TRPV4
SCHEMBL4037989 0.88 CTSK (0.42) CTSKHCRTR2HSD17B10MMP1MMP3
SCHEMBL4039608 0.87 CTSK (0.45) CTSK
SCHEMBL4049190 0.87 CTSK (0.40) CTSKHCRTR2HSD17B10KMT2AKCNQ1
SCHEMBL4043843 0.86 CTSK (0.41) CTSKHCRTR2HSD17B10MMP1MMP3

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