SCHEMBL6832676

SCHEMBL6832676

O=[C][C@H](CCC(=O)O)NC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
FNTA P49354 5/20 0.34
FNTB P49356 5/20 0.34
MGLL Q99685 4/20 0.34
FAAH O00519 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15919123 0.81 FOLH1 (0.49) PTGS1PTGS2FNTAFNTBHPGD
SCHEMBL16273731 0.81 FOLH1 (0.49) PTGS1PTGS2FNTAFNTBHPGD
SCHEMBL17986401 0.79 MMP12 (0.46) PTGS1PTGS2FNTAFNTB
SCHEMBL3626727 0.79 PTGS1 (0.56) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL24118220 0.75 FNTA (0.47) PTGS1PTGS2FNTAFNTBMGLL
SCHEMBL17287164 0.75 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL29061462 0.74 POLB (0.43) MGLLFAAHALDH1A1HPGDHTT
SCHEMBL15391717 0.74 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL34464 0.74 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22311924 0.74 FNTA (0.47) PTGS1PTGS2FNTAFNTBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409546-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2004-04-21 EP disclosed
WO-2003006506-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2003-01-23 WO disclosed