SCHEMBL3962821

SCHEMBL3962821

NC(=O)CCC(=O)N(O)C(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.55
PTGS2 P35354 7/20 0.55
MGLL Q99685 7/20 0.50
FAAH O00519 5/20 0.50
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL1887612 0.86 PTGS1 (0.72) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL28698933 0.86 PTGS1 (0.72) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL30180925 0.86 PTGS1 (0.72) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL19817136 0.86 PTGS1 (0.72) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL22398888 0.84 PTGS1 (0.69) PTGS1PTGS2MGLLFAAHHSP90AA1
Acetic Acid SCHEMBL27987918 0.80 PTGS1 (0.69) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL1704532 0.79 MGLL (0.62) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL21909660 0.76 PTGS1 (0.64) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL1827739 0.76 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL30433783 0.76 PTGS1 (0.63) PTGS1PTGS2MGLLFAAHHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105246894-A Asymmetric pyrrolobenzodiazepine dimers for the treatment of proliferative and autoimmune diseases SPIROGEN LTD 2016-01-13 CN disclosed
US-20090270486-A1 HUMAN RNASE III AND COMPOSITIONS AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
US-7491524-B2 Human RNase III and compositions and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
EP-1485400-A4 HUMAN RNASE III AND COMPOSITIONS AND USES THEREOF ISIS PHARMACEUTICALS INC (US) 2005-11-30 EP disclosed
US-20050164234-A1 Methods of using mammalian RNase H and compositions thereof ISIS PHARMACEUTICALS, INC. 2005-07-28 US disclosed
US-20050159384-A1 Human RNase III and compositions and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2005-07-21 US disclosed
WO-2005021776-A2 METHODS OF USING MAMMALIAN RNase H AND COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2005-03-10 WO disclosed
EP-1485400-A2 HUMAN RNASE III AND COMPOSITIONS AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 2004-12-15 EP disclosed
US-20040248145-A1 Methods of using mammalian RNase H and compositions thereof ISIS PHARMACEUTICALS, INC. 2004-12-09 US disclosed
US-20040175828-A1 Human RNase III and compositions and uses thereof ISIS PHARMACEUTICALS, INC. 2004-09-09 US disclosed
US-20040126867-A1 Human RNase III and compositions and uses thereof ISIS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
US-6737512-B2 ENZYMATIC POLYPEPTIDE FOR USE IN THE TREATMENT OF INFECTIONS ISIS PHARMACEUTICALS, INC. 2004-05-18 US disclosed
WO-2003070904-A2 HUMAN RNASE III AND COMPOSITIONS AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 2003-08-28 WO disclosed
US-20030044941-A1 Human RNase III and compositions and uses thereof ISIS PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-20020164601-A1 Human RNase III and compositions and uses thereof IONIS PHARMACEUTICALS, INC. 2002-11-07 US disclosed