SCHEMBL9734294

SCHEMBL9734294

N=C(CCC(=O)OC(=O)CCCN1C(=O)C=CC1=O)OC(=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.46
PTGS2 P35354 7/20 0.46
MGLL Q99685 7/20 0.46
FAAH O00519 4/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL2495523 0.88 MGLL (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL28038312 0.83 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL6269903 0.83 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL2499154 0.82 PTGS1 (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL28668492 0.80 PTGS1 (0.56) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL4618418 0.79 ALDH1A1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22372519 0.78 PTGS1 (0.73) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1230250 0.77 ALDH1A1 (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16579831 0.76 PTGS1 (0.60) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL8197865 0.75 PTGS1 (0.69) PTGS1PTGS2MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401960-A1 MULTIVALENT GLYCOCONJUGATES IMMUNOGENIC COMPOSITIONS BHARAT BIOTECH INTERNATIONAL LIMITED (IN) 2021-12-30 US claimed
EP-3876981-A1 MULTIVALENT GLYCOCONJUGATES IMMUNOGENIC COMPOSITIONS Bharat Biotech International Limited (IN) 2021-09-15 EP claimed
US-20210401960-A1 MULTIVALENT GLYCOCONJUGATES IMMUNOGENIC COMPOSITIONS BHARAT BIOTECH INTERNATIONAL LIMITED (IN) 2021-12-30 US disclosed
EP-3876981-A1 MULTIVALENT GLYCOCONJUGATES IMMUNOGENIC COMPOSITIONS Bharat Biotech International Limited (IN) 2021-09-15 EP disclosed
US-5156972-A Having reversible competitive recognition units(RCRUs) with ligands and receptors which dissociate, reassociate; detecting modulations due to analyte concentration fluctuation THE STATE OF ISRAEL, ATOMIC ENERGY COMMISSION, SOREQ NUCLEAR RESEARCH CENTER (IL) 1992-10-20 US disclosed