SCHEMBL17178192

SCHEMBL17178192

NOCCCCCCN1C(=O)C=CC1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGLL Q99685 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL20273044 0.82 MGLL (0.35) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL16485405 0.81 PTGS1 (0.36) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL20197866 0.79 PTGS1 (0.40) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL22214489 0.79 GBA1 (0.51) HSP90AA1TLR9FAAHALDH1A1TP53
SCHEMBL21610368 0.79 MGLL (0.59) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL19851854 0.79 MGLL (0.59) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL19683934 0.77 PTGS1 (0.35) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL19401650 0.77 MGLL (0.57) HSP90AA1TLR9FAAHALDH1A1LMNA
SCHEMBL12629192 0.76 PTGS1 (0.56) LMNASMN1; SMN2
SCHEMBL16856543 0.76 MGLL (0.34) HSP90AA1TLR9FAAHALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651411-B1 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS INC (US) 2020-09-16 EP disclosed
WO-2015155998-A1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-15 WO disclosed