SCHEMBL20054923

SCHEMBL20054923

CCCCN(C)C(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.58
PTGS2 P35354 7/20 0.58
MGLL Q99685 6/20 0.58
FAAH O00519 4/20 0.58
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSP90AA1 P07900 1/20 0.49
TLR9 Q9NR96 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR35 Q9HC97 1/20 0.49

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
SCHEMBL20151749 0.87 MGLL (0.64) PTGS1PTGS2MGLLFAAHEPHX2
SCHEMBL20196417 0.84 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL28348837 0.84 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20151753 0.83 MGLL (0.62) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL30373706 0.82 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21909660 0.82 PTGS1 (0.64) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL29047113 0.81 PTGS1 (0.65) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13828051 0.79 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15254653 0.79 EPHX2 (0.62) ALDH1A1SMN1; SMN2EPHX2BCHEACHE
SCHEMBL16781560 0.79 PTGS1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed