SCHEMBL8337500

SCHEMBL8337500

NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nccs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.53
CNR2 P34972 9/20 0.47
CNR1 P21554 1/20 0.45
HPGDS O60760 1/20 0.44
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
CTSS P25774 1/20 0.41
RBBP9 O75884 1/20 0.41
F2RL1 P55085 1/20 0.40

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
SCHEMBL8337771 0.99 CTSK (0.51) CTSKCNR2CNR1HPGDSMAPK11
SCHEMBL7317710 0.79 CTSK (0.61) CTSKPOLBEPHX2GRNSORT1
SCHEMBL7317703 0.79 CTSK (0.61) CTSKPOLBEPHX2GRNSORT1
SCHEMBL8334677 0.76 LONP1 (0.63) CNR2CNR1CTSS
SCHEMBL8338299 0.74 SMYD3 (0.47) CNR2CNR1HPGDSMAPK11MAPK14
SCHEMBL8339907 0.73 CNR2 (0.54) CNR2CNR1MAPK11MAPK14
SCHEMBL21162774 0.73 F2RL1 (0.68) F2RL1
SCHEMBL21162958 0.73 F2RL1 (0.68) F2RL1
SCHEMBL8336585 0.72 F2RL1 (0.66) CNR2CNR1F2RL1
SCHEMBL8336645 0.71 MAPK11 (0.47) CTSKCNR2CNR1HPGDSMAPK11

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-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed