SCHEMBL8339604

SCHEMBL8339604

NC(=O)[C@H](CC1CCCC1)NC(=O)c1ccc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.59
HPGDS O60760 1/20 0.53
REN P00797 1/20 0.48
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
CNR2 P34972 6/20 0.44
CNR1 P21554 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL8334687 0.74 CTSS (0.56) HPGDSMMP1MMP2MMP3CTSL
SCHEMBL8338430 0.72 CNR2 (0.48) HPGDSCNR2CNR1GRNSORT1
SCHEMBL24113263 0.71 KMT2A (0.54) HPGDSMEN1KMT2ACTSLCTSB
SCHEMBL8336585 0.71 F2RL1 (0.66) CNR2CNR1
SCHEMBL13735669 0.71 MMP1 (0.47) HPGDSMMP1MMP2MMP3CNR2
SCHEMBL8337697 0.71 CTSS (0.50) MMP1MMP2MMP3CTSLCTSB
SCHEMBL21162958 0.70 F2RL1 (0.68)
SCHEMBL21162774 0.70 F2RL1 (0.68)
SCHEMBL8339904 0.69 MAPK11 (0.45) HPGDSCNR2CNR1KMT2ACTSS
SCHEMBL8337739 0.69 LMNA (0.54) HPGDSMMP1MMP2MMP3CNR2

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