SCHEMBL8779453

SCHEMBL8779453

O=C(O)CCCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 1.00
PTGS2 P35354 7/20 1.00
MGLL Q99685 6/20 0.68
FAAH O00519 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.68
HSP90AA1 P07900 1/20 0.68
TLR9 Q9NR96 1/20 0.68
ALDH1A1 P00352 1/20 0.68
TP53 P04637 1/20 0.68
MAPT P10636 1/20 0.68
PKM P14618 1/20 0.68
HPGD P15428 1/20 0.68
XBP1 P17861 1/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
RECQL P46063 1/20 0.68
RAB9A P51151 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
GPR35 Q9HC97 1/20 0.68

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
SCHEMBL8779419 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL7785894 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL43882 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL1574552 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL43969 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL24939859 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6934781 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL3291535 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6940132 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL8779402 1.00 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507348-B1 Superoxide dismutase derivatives KURARAY CO (JP) 1997-07-09 EP disclosed
US-5360914-A Intermediates for superoxide dismutase derivatives KURARAY CO., LTD. (JP) 1994-11-01 US disclosed
US-5238837-A Antiinflammatory agents, antiulcer agents KURARAY CO., LTD. (JP) 1993-08-24 US disclosed
EP-0507348-A2 Superoxide dismutase derivatives KURARAY CO., LTD. (JP) 1992-10-07 EP disclosed