SCHEMBL6534769

SCHEMBL6534769

O=C1C=CC(=O)N1CCCC(CO)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.58
FAAH O00519 6/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSP90AA1 P07900 1/20 0.56
TLR9 Q9NR96 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
PTGS1 P23219 7/20 0.47

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
SCHEMBL17924906 0.82 MGLL (0.56) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL23736396 0.79 MGLL (0.62) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL17924902 0.77 MGLL (0.44) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL10353023 0.77 MGLL (0.54) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL1554093 0.76 MGLL (0.71) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL6535080 0.76 MGLL (0.58) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL17924854 0.76 MGLL (0.58) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL22389164 0.76 MGLL (0.58) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL17924884 0.76 MGLL (0.46) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL16322660 0.76 MGLL (0.72) MGLLFAAHALDH1A1LMNAMAPT

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-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 US disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed